5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide

C13H20N2OS — CID 79614310

IUPAC5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
SMILESCC1CCC(NCc2cc(C(N)=O)cs2)C1C
InChIInChI=1S/C13H20N2OS/c1-8-3-4-12(9(8)2)15-6-11-5-10(7-17-11)13(14)16/h5,7-9,12,15H,3-4,6H2,1-2H3,(H2,14,16)
InChIKeyJFOJRRAXCVQCLT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.37
Rot. Bonds4

About 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide

5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79614310) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79614310
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
SMILESCC1CCC(NCc2cc(C(N)=O)cs2)C1C
InChIInChI=1S/C13H20N2OS/c1-8-3-4-12(9(8)2)15-6-11-5-10(7-17-11)13(14)16/h5,7-9,12,15H,3-4,6H2,1-2H3,(H2,14,16)
InChIKeyJFOJRRAXCVQCLT-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
CID 79614194
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107237714
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458
tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103801907
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103254766

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide (CID 79614310) is 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide is CC1CCC(NCc2cc(C(N)=O)cs2)C1C.
What is the InChIKey of 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is JFOJRRAXCVQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-3-4-12(9(8)2)15-6-11-5-10(7-17-11)13(14)16/h5,7-9,12,15H,3-4,6H2,1-2H3,(H2,14,16).
What are the key properties of 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).