3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide

C12H16ClNO2S — CID 103403125

IUPAC3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2(CO)CCCC2)c1Cl
InChIInChI=1S/C12H16ClNO2S/c1-8-6-17-10(9(8)13)11(16)14-12(7-15)4-2-3-5-12/h6,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyOKXBCXISDFRMSS-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.74
Rot. Bonds3

About 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (PubChem CID 103403125) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
PubChem CID103403125
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2(CO)CCCC2)c1Cl
InChIInChI=1S/C12H16ClNO2S/c1-8-6-17-10(9(8)13)11(16)14-12(7-15)4-2-3-5-12/h6,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyOKXBCXISDFRMSS-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406064
3-chloro-N-[4-(hydroxymethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 138046554
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
3-amino-N-[1-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 62526740
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
1-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103400251
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (CID 103403125) is 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC2(CO)CCCC2)c1Cl.
What is the InChIKey of 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The InChIKey is OKXBCXISDFRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-8-6-17-10(9(8)13)11(16)14-12(7-15)4-2-3-5-12/h6,15H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).