3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide

C10H13NO2S — CID 18983747

IUPAC3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1ccc(O)cc1
InChIInChI=1S/C10H13NO2S/c1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyMTVOCINBYXGPIY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.62
Rot. Bonds4

About 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide

3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide (PubChem CID 18983747) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
PubChem CID18983747
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1ccc(O)cc1
InChIInChI=1S/C10H13NO2S/c1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyMTVOCINBYXGPIY-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide
CID 113384882
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
methyl 6-(4-hydroxyphenyl)sulfanylhexanoate
CID 135365803
3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide (CID 18983747) is 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide is CNC(=O)CCSc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide?
The InChIKey is MTVOCINBYXGPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-5,12H,6-7H2,1H3,(H,11,13).
What are the key properties of 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide?
3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide has a molecular weight of 211.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 18983747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).