N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide

C12H17NO2S — CID 110416723

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-9-12(5-1-2-6-12)8-13-11(15)10-4-3-7-16-10/h3-4,7,14H,1-2,5-6,8-9H2,(H,13,15)
InChIKeyNHHVXMLPFIDUGJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.03
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide (PubChem CID 110416723) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
PubChem CID110416723
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-9-12(5-1-2-6-12)8-13-11(15)10-4-3-7-16-10/h3-4,7,14H,1-2,5-6,8-9H2,(H,13,15)
InChIKeyNHHVXMLPFIDUGJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445135
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide (CID 110416723) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide is O=C(NCC1(CO)CCCC1)c1cccs1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
The InChIKey is NHHVXMLPFIDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-9-12(5-1-2-6-12)8-13-11(15)10-4-3-7-16-10/h3-4,7,14H,1-2,5-6,8-9H2,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110416723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).