N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide

C9H16N2O2S — CID 64689666

IUPACN-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide
SMILESCCCS(=O)CC(=O)N(C)CCC#N
InChIInChI=1S/C9H16N2O2S/c1-3-7-14(13)8-9(12)11(2)6-4-5-10/h3-4,6-8H2,1-2H3
InChIKeyXFAIIHCOJUOUMZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.52
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide

N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide (PubChem CID 64689666) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide
PubChem CID64689666
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide
SMILESCCCS(=O)CC(=O)N(C)CCC#N
InChIInChI=1S/C9H16N2O2S/c1-3-7-14(13)8-9(12)11(2)6-4-5-10/h3-4,6-8H2,1-2H3
InChIKeyXFAIIHCOJUOUMZ-UHFFFAOYSA-N
XLogP0.52
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
CID 123120146
N-(2-cyanoethyl)-N-methyl-2-(4-methylphenyl)sulfinylacetamide
CID 64691480
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)sulfinyl-N-methylacetamide
CID 115477733
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide (CID 64689666) is N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide is CCCS(=O)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide?
The InChIKey is XFAIIHCOJUOUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-7-14(13)8-9(12)11(2)6-4-5-10/h3-4,6-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide?
N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide has a molecular weight of 216.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-propylsulfinylacetamide is sourced from PubChem (CID 64689666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).