2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide

C12H17N3O2S — CID 119567462

IUPAC2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide
SMILESNCC1(NC(=O)c2cc(C(N)=O)cs2)CCCC1
InChIInChI=1S/C12H17N3O2S/c13-7-12(3-1-2-4-12)15-11(17)9-5-8(6-18-9)10(14)16/h5-6H,1-4,7,13H2,(H2,14,16)(H,15,17)
InChIKeyLGYFOCQOIZFXCX-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.85
Rot. Bonds4

About 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide

2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide (PubChem CID 119567462) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide
PubChem CID119567462
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide
SMILESNCC1(NC(=O)c2cc(C(N)=O)cs2)CCCC1
InChIInChI=1S/C12H17N3O2S/c13-7-12(3-1-2-4-12)15-11(17)9-5-8(6-18-9)10(14)16/h5-6H,1-4,7,13H2,(H2,14,16)(H,15,17)
InChIKeyLGYFOCQOIZFXCX-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81119763
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119567655
2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide
CID 75449611
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(aminomethyl)cyclopentyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119565437
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide (CID 119567462) is 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide is NCC1(NC(=O)c2cc(C(N)=O)cs2)CCCC1.
What is the InChIKey of 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide?
The InChIKey is LGYFOCQOIZFXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-7-12(3-1-2-4-12)15-11(17)9-5-8(6-18-9)10(14)16/h5-6H,1-4,7,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide?
2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 119567462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).