1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)

C113H220N12O8S — CID 159709665

IUPAC1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)
SMILESC=S1(=O)CCC(C(C)C)CC1.CC(=O)N1CCC(C(C)C)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CC(N)C1.CC(C)N1CCC1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCOCC1
InChIInChI=1S/C14H21N.C10H19NO.C9H18OS.C9H18.C8H15NO.C8H17N.C8H16O.C7H14N2O.C7H15NO.2C7H13NO.C7H14.C6H14N2.C6H13N/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)9-5-4-8(3)7(9)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)8-5-3-4-7(8)9;1-6(2)7-4-3-5-7;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h3-5,7-8,12,14H,6,9-11H2,1-2H3;8,10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4,7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyMYQZYJWRRJYXPQ-UHFFFAOYSA-N
MW1907.15 g/mol
LogP22.63
Rot. Bonds15

About 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)

1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) (PubChem CID 159709665) has the molecular formula C113H220N12O8S and a molecular weight of 1907.15 g/mol. Its IUPAC name is 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one).

Molecular Properties

Compound Name1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)
PubChem CID159709665
Molecular FormulaC113H220N12O8S
Molecular Weight1907.15 g/mol
Exact Mass1905.69
IUPAC Name1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)
SMILESC=S1(=O)CCC(C(C)C)CC1.CC(=O)N1CCC(C(C)C)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CC(N)C1.CC(C)N1CCC1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCOCC1
InChIInChI=1S/C14H21N.C10H19NO.C9H18OS.C9H18.C8H15NO.C8H17N.C8H16O.C7H14N2O.C7H15NO.2C7H13NO.C7H14.C6H14N2.C6H13N/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)9-5-4-8(3)7(9)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)8-5-3-4-7(8)9;1-6(2)7-4-3-5-7;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h3-5,7-8,12,14H,6,9-11H2,1-2H3;8,10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4,7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyMYQZYJWRRJYXPQ-UHFFFAOYSA-N
XLogP22.63
TPSA182.54 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.15
LogP ≤ 522.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)?
The IUPAC name of 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) (CID 159709665) is 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one).
What is the SMILES notation for 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)?
The canonical SMILES for 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) is C=S1(=O)CCC(C(C)C)CC1.CC(=O)N1CCC(C(C)C)CC1.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CC(N)C1.CC(C)N1CCC1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C1=O.CC(C)N1CCOCC1.
What is the InChIKey of 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)?
The InChIKey is MYQZYJWRRJYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C10H19NO.C9H18OS.C9H18.C8H15NO.C8H17N.C8H16O.C7H14N2O.C7H15NO.2C7H13NO.C7H14.C6H14N2.C6H13N/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)9-5-4-8(3)7(9)10;1-7(2)8-3-5-9-6-4-8;2*1-6(2)8-5-3-4-7(8)9;1-6(2)7-4-3-5-7;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h3-5,7-8,12,14H,6,9-11H2,1-2H3;8,10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4,7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one)?
1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) has a molecular weight of 1907.15 g/mol, XLogP of 22.63, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-propan-2-ylthiane 1-oxide;1-methyl-3-propan-2-ylimidazolidin-2-one;3-phenyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;bis(1-propan-2-ylpyrrolidin-2-one) is sourced from PubChem (CID 159709665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).