1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide

C10H13N3O2S — CID 60677937

IUPAC1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)CC#N
InChIInChI=1S/C10H13N3O2S/c1-13(16(14,15)9-6-11)8-5-10-4-2-3-7-12-10/h2-4,7H,5,8-9H2,1H3
InChIKeyLUTONPWDABPTRM-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.41
Rot. Bonds5

About 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide

1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide (PubChem CID 60677937) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
PubChem CID60677937
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)CC#N
InChIInChI=1S/C10H13N3O2S/c1-13(16(14,15)9-6-11)8-5-10-4-2-3-7-12-10/h2-4,7H,5,8-9H2,1H3
InChIKeyLUTONPWDABPTRM-UHFFFAOYSA-N
XLogP0.41
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 55208495
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide (CID 60677937) is 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide is CN(CCc1ccccn1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide?
The InChIKey is LUTONPWDABPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13(16(14,15)9-6-11)8-5-10-4-2-3-7-12-10/h2-4,7H,5,8-9H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide?
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 60677937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).