3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

C11H14ClNO2S — CID 106364449

IUPAC3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC1CO)c1sccc1Cl
InChIInChI=1S/C11H14ClNO2S/c12-8-4-5-16-10(8)11(15)13-9-3-1-2-7(9)6-14/h4-5,7,9,14H,1-3,6H2,(H,13,15)
InChIKeyYJWLWWZYKIRQJB-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 106364449) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
PubChem CID106364449
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC1CO)c1sccc1Cl
InChIInChI=1S/C11H14ClNO2S/c12-8-4-5-16-10(8)11(15)13-9-3-1-2-7(9)6-14/h4-5,7,9,14H,1-3,6H2,(H,13,15)
InChIKeyYJWLWWZYKIRQJB-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (CID 106364449) is 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is O=C(NC1CCCC1CO)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is YJWLWWZYKIRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-8-4-5-16-10(8)11(15)13-9-3-1-2-7(9)6-14/h4-5,7,9,14H,1-3,6H2,(H,13,15).
What are the key properties of 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 106364449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).