methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C61H126N10O11S3 — CID 162034506

IUPACmethane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESC.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1C(=O)CCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O.C8H18N2O2S.C8H15NO.C8H17N.C7H15NO2S.C7H11NO2.C7H15NO.C6H13NO2S.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-4-3-7(9)5-8;1-6(2)7-4-3-5-10(7,8)9;/h8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4/t;;;;;;7-;;/m......1../s1
InChIKeyYWLSDSDNMQPCJE-CZAPVXDASA-N
MW1271.94 g/mol
LogP6.02
Rot. Bonds9

About methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 162034506) has the molecular formula C61H126N10O11S3 and a molecular weight of 1271.94 g/mol. Its IUPAC name is methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Namemethane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID162034506
Molecular FormulaC61H126N10O11S3
Molecular Weight1271.94 g/mol
Exact Mass1270.88
IUPAC Namemethane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESC.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1C(=O)CCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O.C8H18N2O2S.C8H15NO.C8H17N.C7H15NO2S.C7H11NO2.C7H15NO.C6H13NO2S.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-4-3-7(9)5-8;1-6(2)7-4-3-5-10(7,8)9;/h8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4/t;;;;;;7-;;/m......1../s1
InChIKeyYWLSDSDNMQPCJE-CZAPVXDASA-N
XLogP6.02
TPSA223.33 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001271.94
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 162034506) is methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1C(=O)CCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CC[C@@H](O)C1.
What is the InChIKey of methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YWLSDSDNMQPCJE-CZAPVXDASA-N. The full InChI is InChI=1S/C9H18N2O.C8H18N2O2S.C8H15NO.C8H17N.C7H15NO2S.C7H11NO2.C7H15NO.C6H13NO2S.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-5(2)8-6(9)3-4-7(8)10;1-6(2)8-4-3-7(9)5-8;1-6(2)7-4-3-5-10(7,8)9;/h8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4/t;;;;;;7-;;/m......1../s1.
What are the key properties of methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 1271.94 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylsulfonyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one;1-propan-2-ylpyrrolidine-2,5-dione;(3R)-1-propan-2-ylpyrrolidin-3-ol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 162034506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).