2-cyano-N-(2-methylsulfinylpropyl)propanamide

C8H14N2O2S — CID 115764505

IUPAC2-cyano-N-(2-methylsulfinylpropyl)propanamide
SMILESCC(C#N)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C8H14N2O2S/c1-6(4-9)8(11)10-5-7(2)13(3)12/h6-7H,5H2,1-3H3,(H,10,11)
InChIKeyGQOVEWKFJFRMTR-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.03
Rot. Bonds4

About 2-cyano-N-(2-methylsulfinylpropyl)propanamide

2-cyano-N-(2-methylsulfinylpropyl)propanamide (PubChem CID 115764505) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-cyano-N-(2-methylsulfinylpropyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylsulfinylpropyl)propanamide
PubChem CID115764505
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-cyano-N-(2-methylsulfinylpropyl)propanamide
SMILESCC(C#N)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C8H14N2O2S/c1-6(4-9)8(11)10-5-7(2)13(3)12/h6-7H,5H2,1-3H3,(H,10,11)
InChIKeyGQOVEWKFJFRMTR-UHFFFAOYSA-N
XLogP0.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
2-cyano-N-ethylpropanamide
CID 23199183
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
2-cyano-N-(5,5,5-trifluoropentyl)propanamide
CID 115491644
2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
CID 115764495
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylsulfinylpropyl)propanamide?
The IUPAC name of 2-cyano-N-(2-methylsulfinylpropyl)propanamide (CID 115764505) is 2-cyano-N-(2-methylsulfinylpropyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2-methylsulfinylpropyl)propanamide?
The canonical SMILES for 2-cyano-N-(2-methylsulfinylpropyl)propanamide is CC(C#N)C(=O)NCC(C)S(C)=O.
What is the InChIKey of 2-cyano-N-(2-methylsulfinylpropyl)propanamide?
The InChIKey is GQOVEWKFJFRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(4-9)8(11)10-5-7(2)13(3)12/h6-7H,5H2,1-3H3,(H,10,11).
What are the key properties of 2-cyano-N-(2-methylsulfinylpropyl)propanamide?
2-cyano-N-(2-methylsulfinylpropyl)propanamide has a molecular weight of 202.28 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylsulfinylpropyl)propanamide is sourced from PubChem (CID 115764505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).