N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide

C14H21NO2S — CID 65118946

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-13(2)4-6-14(17,7-5-13)10-15-12(16)11-3-8-18-9-11/h3,8-9,17H,4-7,10H2,1-2H3,(H,15,16)
InChIKeyGEMYFENTOJIPAE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.81
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide (PubChem CID 65118946) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
PubChem CID65118946
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-13(2)4-6-14(17,7-5-13)10-15-12(16)11-3-8-18-9-11/h3,8-9,17H,4-7,10H2,1-2H3,(H,15,16)
InChIKeyGEMYFENTOJIPAE-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 79037145
3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide (CID 65118946) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide is CC1(C)CCC(O)(CNC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide?
The InChIKey is GEMYFENTOJIPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-13(2)4-6-14(17,7-5-13)10-15-12(16)11-3-8-18-9-11/h3,8-9,17H,4-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 65118946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).