1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide

C11H13N3OS — CID 65464284

IUPAC1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)C2(N)CC2)c(C#N)c1C
InChIInChI=1S/C11H13N3OS/c1-6-7(2)16-9(8(6)5-12)14-10(15)11(13)3-4-11/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyKTBVZZULBMLFIS-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.67
Rot. Bonds2

About 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide

1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 65464284) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID65464284
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)C2(N)CC2)c(C#N)c1C
InChIInChI=1S/C11H13N3OS/c1-6-7(2)16-9(8(6)5-12)14-10(15)11(13)3-4-11/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyKTBVZZULBMLFIS-UHFFFAOYSA-N
XLogP1.67
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
CID 55178133
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 63141284
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide
CID 66263312
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710766
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
CID 55122081
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 903532
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide (CID 65464284) is 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1sc(NC(=O)C2(N)CC2)c(C#N)c1C.
What is the InChIKey of 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is KTBVZZULBMLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-7(2)16-9(8(6)5-12)14-10(15)11(13)3-4-11/h3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide?
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).