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

C9H11N3O2S — CID 55208495

IUPAC1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)CC#N
InChIInChI=1S/C9H11N3O2S/c1-12(15(13,14)7-5-10)8-9-4-2-3-6-11-9/h2-4,6H,7-8H2,1H3
InChIKeyTVFDQZOBGNSQIJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.37
Rot. Bonds4

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

1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 55208495) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID55208495
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)CC#N
InChIInChI=1S/C9H11N3O2S/c1-12(15(13,14)7-5-10)8-9-4-2-3-6-11-9/h2-4,6H,7-8H2,1H3
InChIKeyTVFDQZOBGNSQIJ-UHFFFAOYSA-N
XLogP0.37
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110724661
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564889
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 55208495) is 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide is CN(Cc1ccccn1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is TVFDQZOBGNSQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-12(15(13,14)7-5-10)8-9-4-2-3-6-11-9/h2-4,6H,7-8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.37, 4 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-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 55208495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).