5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride

C15H21ClF2N2OS — CID 118432739

IUPAC5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
SMILESCc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H/t11-,12-;/m1./s1
InChIKeyZZOKDHTYOQJKKL-MNMPKAIFSA-N
MW350.86 g/mol
LogP3.60
Rot. Bonds3

About 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride

5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride (PubChem CID 118432739) has the molecular formula C15H21ClF2N2OS and a molecular weight of 350.86 g/mol. Its IUPAC name is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
PubChem CID118432739
Molecular FormulaC15H21ClF2N2OS
Molecular Weight350.86 g/mol
Exact Mass350.10
IUPAC Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
SMILESCc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H/t11-,12-;/m1./s1
InChIKeyZZOKDHTYOQJKKL-MNMPKAIFSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride (CID 118432739) is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride is Cc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1.Cl.
What is the InChIKey of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
The InChIKey is ZZOKDHTYOQJKKL-MNMPKAIFSA-N. The full InChI is InChI=1S/C15H20F2N2OS.ClH/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9;/h7,9,11-12H,2-6,18H2,1H3,(H,19,20);1H/t11-,12-;/m1./s1.
What are the key properties of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride?
5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 118432739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).