2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide

C10H11NO2S — CID 169455593

IUPAC2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCS)ccc1O
InChIInChI=1S/C10H11NO2S/c11-10(13)8-6-7(2-1-5-14)3-4-9(8)12/h1-4,6,12,14H,5H2,(H2,11,13)
InChIKeyKZHCORFMTAVTQP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.43
Rot. Bonds3

About 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide

2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide (PubChem CID 169455593) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
PubChem CID169455593
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCS)ccc1O
InChIInChI=1S/C10H11NO2S/c11-10(13)8-6-7(2-1-5-14)3-4-9(8)12/h1-4,6,12,14H,5H2,(H2,11,13)
InChIKeyKZHCORFMTAVTQP-UHFFFAOYSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
CID 170476987
5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone
CID 169455427
1-[2-amino-5-(3-sulfanylprop-1-enyl)phenyl]ethanone
CID 169455613
methyl 2-hydroxy-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455740
ethyl 2-amino-5-(3-sulfanylprop-1-enyl)benzoate
CID 169456048
CID 174726274
CID 174726274
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
(E)-3-[4-(3-sulfanylprop-1-enyl)phenyl]prop-2-enoic acid
CID 169455690
methyl 2-chloro-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455681
1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-dien-4-one
CID 67804979

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide?
The IUPAC name of 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide (CID 169455593) is 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide?
The canonical SMILES for 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide is NC(=O)c1cc(C=CCS)ccc1O.
What is the InChIKey of 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide?
The InChIKey is KZHCORFMTAVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c11-10(13)8-6-7(2-1-5-14)3-4-9(8)12/h1-4,6,12,14H,5H2,(H2,11,13).
What are the key properties of 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide?
2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide has a molecular weight of 209.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide is sourced from PubChem (CID 169455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).