3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide

C7H12N2O2S — CID 87659980

IUPAC3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide
SMILESCN(C)C(=O)C(CC#N)S(C)=O
InChIInChI=1S/C7H12N2O2S/c1-9(2)7(10)6(4-5-8)12(3)11/h6H,4H2,1-3H3
InChIKeyYKRXFQRYEGYFIA-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.26
Rot. Bonds3

About 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide

3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide (PubChem CID 87659980) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide.

Molecular Properties

Compound Name3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide
PubChem CID87659980
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide
SMILESCN(C)C(=O)C(CC#N)S(C)=O
InChIInChI=1S/C7H12N2O2S/c1-9(2)7(10)6(4-5-8)12(3)11/h6H,4H2,1-3H3
InChIKeyYKRXFQRYEGYFIA-UHFFFAOYSA-N
XLogP-0.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-methylsulfinylpropan-2-yl)amino]acetonitrile
CID 131212061
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
1,1-bis(cyanomethyl)-3,3-dimethylurea
CID 116653848
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
ethyl 3-[1-cyanopropan-2-yl(methyl)amino]butanoate
CID 63223074
N-(cyanomethyl)-N-methyl-2-methylsulfanylpropanamide
CID 123330470
N-(1-cyanopropan-2-yl)methanesulfinamide
CID 130892472
N-(cyanomethyl)-N-methyl-2-propylpentanamide
CID 115532829
3-[methyl(2-oxobutyl)amino]butanenitrile
CID 63223260
N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
CID 55174159

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide?
The IUPAC name of 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide (CID 87659980) is 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide.
What is the SMILES notation for 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide?
The canonical SMILES for 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide is CN(C)C(=O)C(CC#N)S(C)=O.
What is the InChIKey of 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide?
The InChIKey is YKRXFQRYEGYFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-9(2)7(10)6(4-5-8)12(3)11/h6H,4H2,1-3H3.
What are the key properties of 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide?
3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide has a molecular weight of 188.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-dimethyl-2-methylsulfinylpropanamide is sourced from PubChem (CID 87659980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).