5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide

C13H20N2OS — CID 97236076

IUPAC5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
SMILESCC[C@@H]1CCC[C@H]1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H20N2OS/c1-2-9-4-3-5-12(9)15-7-11-6-10(8-17-11)13(14)16/h6,8-9,12,15H,2-5,7H2,1H3,(H2,14,16)/t9-,12-/m1/s1
InChIKeyTUFQBPWSIQDLEQ-BXKDBHETSA-N
MW252.38 g/mol
LogP2.52
Rot. Bonds5

About 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide

5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 97236076) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
PubChem CID97236076
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
SMILESCC[C@@H]1CCC[C@H]1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H20N2OS/c1-2-9-4-3-5-12(9)15-7-11-6-10(8-17-11)13(14)16/h6,8-9,12,15H,2-5,7H2,1H3,(H2,14,16)/t9-,12-/m1/s1
InChIKeyTUFQBPWSIQDLEQ-BXKDBHETSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.52
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-[[(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-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 79614310
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
CID 79614194
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide (CID 97236076) is 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide is CC[C@@H]1CCC[C@H]1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is TUFQBPWSIQDLEQ-BXKDBHETSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-9-4-3-5-12(9)15-7-11-6-10(8-17-11)13(14)16/h6,8-9,12,15H,2-5,7H2,1H3,(H2,14,16)/t9-,12-/m1/s1.
What are the key properties of 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 97236076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).