2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide

C10H13NO2S — CID 154364693

IUPAC2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide
SMILESCc1ccccc1SCC(O)C(N)=O
InChIInChI=1S/C10H13NO2S/c1-7-4-2-3-5-9(7)14-6-8(12)10(11)13/h2-5,8,12H,6H2,1H3,(H2,11,13)
InChIKeyQRXMYMSIFNASIA-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.93
Rot. Bonds4

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

2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide (PubChem CID 154364693) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide
PubChem CID154364693
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide
SMILESCc1ccccc1SCC(O)C(N)=O
InChIInChI=1S/C10H13NO2S/c1-7-4-2-3-5-9(7)14-6-8(12)10(11)13/h2-5,8,12H,6H2,1H3,(H2,11,13)
InChIKeyQRXMYMSIFNASIA-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-Methylphenyl)thio)-acetamide
CID 36074
(1-Amino-1-oxopropan-2-yl) 2-(2-methylphenyl)sulfanylacetate
CID 4964058
1-Amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol
CID 82023687
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
CID 143214872
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
CID 143421569
2-hydroxy-N-[(2-methylphenyl)sulfonyl]propanamide
CID 3115918
1-Amino-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 59761639
2H-thiochromene-2-carboxamide
CID 60161305
4-Hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 68279673
2-Hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 68279674
2,3-Dihydro-1-benzothiepine-3-carboxamide
CID 70230257
N-hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 88920341

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide?
The IUPAC name of 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide (CID 154364693) is 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide is Cc1ccccc1SCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide?
The InChIKey is QRXMYMSIFNASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-2-3-5-9(7)14-6-8(12)10(11)13/h2-5,8,12H,6H2,1H3,(H2,11,13).
What are the key properties of 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide?
2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide has a molecular weight of 211.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 154364693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).