1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide

C13H16N2OS — CID 80591845

IUPAC1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-10(8-11-4-3-7-17-11)15(2)12(16)13(9-14)5-6-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyCLSLKNJMZDUAPE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.44
Rot. Bonds4

About 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide

1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80591845) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID80591845
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-10(8-11-4-3-7-17-11)15(2)12(16)13(9-14)5-6-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyCLSLKNJMZDUAPE-UHFFFAOYSA-N
XLogP2.44
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80502048
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 80599455
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 79488513

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide (CID 80591845) is 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide is CC(Cc1cccs1)N(C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CLSLKNJMZDUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(8-11-4-3-7-17-11)15(2)12(16)13(9-14)5-6-13/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80591845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).