N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide

C14H21NO2S — CID 110663593

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
SMILESCN(CC(O)c1cccs1)C(=O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-15(10-12(16)13-8-5-9-18-13)14(17)11-6-3-2-4-7-11/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3
InChIKeyVSVNTAOBYDEBTQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.82
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide (PubChem CID 110663593) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
PubChem CID110663593
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
SMILESCN(CC(O)c1cccs1)C(=O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-15(10-12(16)13-8-5-9-18-13)14(17)11-6-3-2-4-7-11/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3
InChIKeyVSVNTAOBYDEBTQ-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
CID 111695301
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide (CID 110663593) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide is CN(CC(O)c1cccs1)C(=O)C1CCCCC1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide?
The InChIKey is VSVNTAOBYDEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15(10-12(16)13-8-5-9-18-13)14(17)11-6-3-2-4-7-11/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 110663593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).