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

C12H15NO2S — CID 64795102

IUPACN-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CCSC1
InChIInChI=1S/C12H15NO2S/c1-8-10(3-2-4-11(8)14)13-12(15)9-5-6-16-7-9/h2-4,9,14H,5-7H2,1H3,(H,13,15)
InChIKeyRKIIYNNTORSPLT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.39
Rot. Bonds2

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

N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide (PubChem CID 64795102) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
PubChem CID64795102
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CCSC1
InChIInChI=1S/C12H15NO2S/c1-8-10(3-2-4-11(8)14)13-12(15)9-5-6-16-7-9/h2-4,9,14H,5-7H2,1H3,(H,13,15)
InChIKeyRKIIYNNTORSPLT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
CID 64795110
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
CID 110858311
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(5-amino-2-bromo-4-methylphenyl)thiolane-3-carboxamide
CID 113456207
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide
CID 104625878
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide (CID 64795102) is N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide is Cc1c(O)cccc1NC(=O)C1CCSC1.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide?
The InChIKey is RKIIYNNTORSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-10(3-2-4-11(8)14)13-12(15)9-5-6-16-7-9/h2-4,9,14H,5-7H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide?
N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 2.39, 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-3-carboxamide is sourced from PubChem (CID 64795102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).