2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol

C15H22N2O3S — CID 143392421

IUPAC2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol
SMILESCOCC(C)O.[H]/N=C(\C(N)=O)c1ccc(SC2CC2)cc1
InChIInChI=1S/C11H12N2OS.C4H10O2/c12-10(11(13)14)7-1-3-8(4-2-7)15-9-5-6-9;1-4(5)3-6-2/h1-4,9,12H,5-6H2,(H2,13,14);4-5H,3H2,1-2H3/b12-10-;
InChIKeyOVYFCDDELMMUJV-BBJSDXRSSA-N
MW310.42 g/mol
LogP1.81
Rot. Bonds6

About 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol

2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol (PubChem CID 143392421) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol
PubChem CID143392421
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol
SMILESCOCC(C)O.[H]/N=C(\C(N)=O)c1ccc(SC2CC2)cc1
InChIInChI=1S/C11H12N2OS.C4H10O2/c12-10(11(13)14)7-1-3-8(4-2-7)15-9-5-6-9;1-4(5)3-6-2/h1-4,9,12H,5-6H2,(H2,13,14);4-5H,3H2,1-2H3/b12-10-;
InChIKeyOVYFCDDELMMUJV-BBJSDXRSSA-N
XLogP1.81
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol?
The IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol (CID 143392421) is 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol.
What is the SMILES notation for 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol?
The canonical SMILES for 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol is COCC(C)O.[H]/N=C(\C(N)=O)c1ccc(SC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol?
The InChIKey is OVYFCDDELMMUJV-BBJSDXRSSA-N. The full InChI is InChI=1S/C11H12N2OS.C4H10O2/c12-10(11(13)14)7-1-3-8(4-2-7)15-9-5-6-9;1-4(5)3-6-2/h1-4,9,12H,5-6H2,(H2,13,14);4-5H,3H2,1-2H3/b12-10-;.
What are the key properties of 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol?
2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol has a molecular weight of 310.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol is sourced from PubChem (CID 143392421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).