N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide

C12H20N2O3S — CID 64690726

IUPACN-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide
SMILESCN(CCC#N)C(=O)CCS(=O)C1CCOCC1
InChIInChI=1S/C12H20N2O3S/c1-14(7-2-6-13)12(15)5-10-18(16)11-3-8-17-9-4-11/h11H,2-5,7-10H2,1H3
InChIKeyGODJTDSXGNZVIA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.68
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide

N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide (PubChem CID 64690726) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide
PubChem CID64690726
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide
SMILESCN(CCC#N)C(=O)CCS(=O)C1CCOCC1
InChIInChI=1S/C12H20N2O3S/c1-14(7-2-6-13)12(15)5-10-18(16)11-3-8-17-9-4-11/h11H,2-5,7-10H2,1H3
InChIKeyGODJTDSXGNZVIA-UHFFFAOYSA-N
XLogP0.68
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317
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)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
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
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide
CID 64689666
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide (CID 64690726) is N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide is CN(CCC#N)C(=O)CCS(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide?
The InChIKey is GODJTDSXGNZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-14(7-2-6-13)12(15)5-10-18(16)11-3-8-17-9-4-11/h11H,2-5,7-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(oxan-4-ylsulfinyl)propanamide is sourced from PubChem (CID 64690726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).