1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

C12H18N2OS — CID 81489545

IUPAC1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccsc2)CCCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-2-5-12)11(15)14-7-10-3-6-16-8-10/h3,6,8H,1-2,4-5,7,9,13H2,(H,14,15)
InChIKeyJQUITERHFXYXPM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds4

About 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 81489545) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID81489545
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccsc2)CCCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-2-5-12)11(15)14-7-10-3-6-16-8-10/h3,6,8H,1-2,4-5,7,9,13H2,(H,14,15)
InChIKeyJQUITERHFXYXPM-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 115448466
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63244240
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (CID 81489545) is 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is NCC1(C(=O)NCc2ccsc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is JQUITERHFXYXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-9-12(4-1-2-5-12)11(15)14-7-10-3-6-16-8-10/h3,6,8H,1-2,4-5,7,9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81489545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).