1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide

C12H14N2OS — CID 78994707

IUPAC1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cccs2)CCC1
InChIInChI=1S/C12H14N2OS/c13-9-12(5-2-6-12)11(15)14-7-4-10-3-1-8-16-10/h1,3,8H,2,4-7H2,(H,14,15)
InChIKeyCHTMTMMLGWNZNV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.10
Rot. Bonds4

About 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide

1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide (PubChem CID 78994707) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
PubChem CID78994707
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cccs2)CCC1
InChIInChI=1S/C12H14N2OS/c13-9-12(5-2-6-12)11(15)14-7-4-10-3-1-8-16-10/h1,3,8H,2,4-7H2,(H,14,15)
InChIKeyCHTMTMMLGWNZNV-UHFFFAOYSA-N
XLogP2.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 80599455
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 42910761
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115183365
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
N-[(3-bromothiophen-2-yl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 78994573

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide (CID 78994707) is 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCCc2cccs2)CCC1.
What is the InChIKey of 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is CHTMTMMLGWNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-9-12(5-2-6-12)11(15)14-7-4-10-3-1-8-16-10/h1,3,8H,2,4-7H2,(H,14,15).
What are the key properties of 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).