2-(2-amino-3-methylphenyl)sulfanylpropanamide

C10H14N2OS — CID 79147499

IUPAC2-(2-amino-3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(N)=O)c1N
InChIInChI=1S/C10H14N2OS/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13)
InChIKeyNYCOEVMHNZDWGQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-amino-3-methylphenyl)sulfanylpropanamide

2-(2-amino-3-methylphenyl)sulfanylpropanamide (PubChem CID 79147499) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanylpropanamide
PubChem CID79147499
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(2-amino-3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(N)=O)c1N
InChIInChI=1S/C10H14N2OS/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13)
InChIKeyNYCOEVMHNZDWGQ-UHFFFAOYSA-N
XLogP1.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanylbutanamide
CID 79146669
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 79147428
2-(2-methylphenyl)sulfanylpropanoic acid
CID 20985535
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-methylbenzoate
CID 61322087
3-[2-(2-amino-3-methylphenyl)sulfanylethylsulfonyl]propanamide
CID 79146563
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 25363493
2-(3,5-dimethylphenyl)sulfanylpropanamide
CID 82040666

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanylpropanamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanylpropanamide (CID 79147499) is 2-(2-amino-3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanylpropanamide is Cc1cccc(SC(C)C(N)=O)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanylpropanamide?
The InChIKey is NYCOEVMHNZDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanylpropanamide?
2-(2-amino-3-methylphenyl)sulfanylpropanamide has a molecular weight of 210.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 79147499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).