N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide

C12H20N2O2S — CID 64690317

IUPACN-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCS(=O)C1CCCC1
InChIInChI=1S/C12H20N2O2S/c1-14(9-4-8-13)12(15)7-10-17(16)11-5-2-3-6-11/h11H,2-7,9-10H2,1H3
InChIKeyLCDVQYJDCXKLFF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.44
Rot. Bonds6

About N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide

N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide (PubChem CID 64690317) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
PubChem CID64690317
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCS(=O)C1CCCC1
InChIInChI=1S/C12H20N2O2S/c1-14(9-4-8-13)12(15)7-10-17(16)11-5-2-3-6-11/h11H,2-7,9-10H2,1H3
InChIKeyLCDVQYJDCXKLFF-UHFFFAOYSA-N
XLogP1.44
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide
CID 64690726
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-(4-propan-2-ylphenyl)sulfinylpropanamide
CID 64692307

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide (CID 64690317) is N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide is CN(CCC#N)C(=O)CCS(=O)C1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide?
The InChIKey is LCDVQYJDCXKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14(9-4-8-13)12(15)7-10-17(16)11-5-2-3-6-11/h11H,2-7,9-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide?
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide is sourced from PubChem (CID 64690317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).