N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide

C12H15NO2S — CID 64795110

IUPACN-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CCCS1
InChIInChI=1S/C12H15NO2S/c1-8-9(4-2-5-10(8)14)13-12(15)11-6-3-7-16-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyKJJQHXTYPRFHOQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.53
Rot. Bonds2

About N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide

N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide (PubChem CID 64795110) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
PubChem CID64795110
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CCCS1
InChIInChI=1S/C12H15NO2S/c1-8-9(4-2-5-10(8)14)13-12(15)11-6-3-7-16-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyKJJQHXTYPRFHOQ-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
CID 64795102
N-(2,4-dimethylphenyl)thiolane-2-carboxamide
CID 110857194
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
N-(2-fluorophenyl)thiane-2-carboxamide
CID 110858566
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]thiolane-2-carboxamide
CID 77021578
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]thiolane-2-carboxamide
CID 82766126
N-(2-amino-4,5-dimethylphenyl)thiane-2-carboxamide
CID 80594405
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide (CID 64795110) is N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide is Cc1c(O)cccc1NC(=O)C1CCCS1.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide?
The InChIKey is KJJQHXTYPRFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-9(4-2-5-10(8)14)13-12(15)11-6-3-7-16-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide?
N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide is sourced from PubChem (CID 64795110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).