(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide

C11H15NOS2 — CID 38886217

IUPAC(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)SC)c1
InChIInChI=1S/C11H15NOS2/c1-8(14-2)11(13)12-9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyZQQOFHKPILQAGC-QMMMGPOBSA-N
MW241.38 g/mol
LogP3.10
Rot. Bonds4

About (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 38886217) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
PubChem CID38886217
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)SC)c1
InChIInChI=1S/C11H15NOS2/c1-8(14-2)11(13)12-9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyZQQOFHKPILQAGC-QMMMGPOBSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
(2R)-2-methoxy-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 124616033
3-amino-4-(3-methylsulfanylanilino)-4-oxobutanoic acid
CID 64896435
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide (CID 38886217) is (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)[C@H](C)SC)c1.
What is the InChIKey of (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is ZQQOFHKPILQAGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-8(14-2)11(13)12-9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 38886217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).