4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide

C12H17NO2S — CID 115150767

IUPAC4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccsc1NC(=O)C1CCC(O)CC1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-16-12(8)13-11(15)9-2-4-10(14)5-3-9/h6-7,9-10,14H,2-5H2,1H3,(H,13,15)
InChIKeyLMYIGYMPVNZDDF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.55
Rot. Bonds2

About 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide

4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide (PubChem CID 115150767) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
PubChem CID115150767
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccsc1NC(=O)C1CCC(O)CC1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-16-12(8)13-11(15)9-2-4-10(14)5-3-9/h6-7,9-10,14H,2-5H2,1H3,(H,13,15)
InChIKeyLMYIGYMPVNZDDF-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
CID 115151162
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
N-(3-methylthiophen-2-yl)-3-oxobutanamide
CID 115176235
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-(3-methylthiophen-2-yl)-4-nitrobenzamide
CID 19689921
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide (CID 115150767) is 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide is Cc1ccsc1NC(=O)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
The InChIKey is LMYIGYMPVNZDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-7-16-12(8)13-11(15)9-2-4-10(14)5-3-9/h6-7,9-10,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide?
4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).