5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide

C17H24N2O2S — CID 118433136

IUPAC5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCOCC1)c1csc([C@H]2C[C@@H]2NC2CCC2)c1
InChIInChI=1S/C17H24N2O2S/c20-17(19-13-4-6-21-7-5-13)11-8-16(22-10-11)14-9-15(14)18-12-2-1-3-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyCGTUABNRJYZTFD-GJZGRUSLSA-N
MW320.46 g/mol
LogP2.65
Rot. Bonds5

About 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide

5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide (PubChem CID 118433136) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
PubChem CID118433136
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCOCC1)c1csc([C@H]2C[C@@H]2NC2CCC2)c1
InChIInChI=1S/C17H24N2O2S/c20-17(19-13-4-6-21-7-5-13)11-8-16(22-10-11)14-9-15(14)18-12-2-1-3-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyCGTUABNRJYZTFD-GJZGRUSLSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118432944
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
N-cyclopentyl-5-[2-(cyclopropylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432933
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
CID 125489038
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 140901140
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
CID 170257409

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide (CID 118433136) is 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide is O=C(NC1CCOCC1)c1csc([C@H]2C[C@@H]2NC2CCC2)c1.
What is the InChIKey of 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The InChIKey is CGTUABNRJYZTFD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-17(19-13-4-6-21-7-5-13)11-8-16(22-10-11)14-9-15(14)18-12-2-1-3-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118433136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).