4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride

C17H25ClN2O2S — CID 118432728

IUPAC4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCOCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1
InChIInChI=1S/C17H24N2O2S.ClH/c20-17(19-13-4-6-21-7-5-13)16-8-11(10-22-16)14-9-15(14)18-12-2-1-3-12;/h8,10,12-15,18H,1-7,9H2,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyGHCKGAUFGMFLBI-LIOBNPLQSA-N
MW356.92 g/mol
LogP3.08
Rot. Bonds5

About 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride

4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 118432728) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID118432728
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCOCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1
InChIInChI=1S/C17H24N2O2S.ClH/c20-17(19-13-4-6-21-7-5-13)16-8-11(10-22-16)14-9-15(14)18-12-2-1-3-12;/h8,10,12-15,18H,1-7,9H2,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyGHCKGAUFGMFLBI-LIOBNPLQSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
CID 125489038
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 118433197
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 118433148
4-[(1S,2R)-2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-2-carboxamide
CID 140877532
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid
CID 118433215
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride (CID 118432728) is 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCOCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1.
What is the InChIKey of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is GHCKGAUFGMFLBI-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H24N2O2S.ClH/c20-17(19-13-4-6-21-7-5-13)16-8-11(10-22-16)14-9-15(14)18-12-2-1-3-12;/h8,10,12-15,18H,1-7,9H2,(H,19,20);1H/t14-,15+;/m1./s1.
What are the key properties of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118432728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).