6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide

C11H12N4O2S — CID 115611960

IUPAC6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H12N4O2S/c1-9(5-6-12)15(2)18(16,17)11-4-3-10(7-13)14-8-11/h3-4,8-9H,5H2,1-2H3
InChIKeyDHMVHCPSNPWDSH-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.88
Rot. Bonds4

About 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 115611960) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID115611960
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H12N4O2S/c1-9(5-6-12)15(2)18(16,17)11-4-3-10(7-13)14-8-11/h3-4,8-9H,5H2,1-2H3
InChIKeyDHMVHCPSNPWDSH-UHFFFAOYSA-N
XLogP0.88
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide (CID 115611960) is 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide is CC(CC#N)N(C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is DHMVHCPSNPWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-9(5-6-12)15(2)18(16,17)11-4-3-10(7-13)14-8-11/h3-4,8-9H,5H2,1-2H3.
What are the key properties of 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 264.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115611960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).