6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile

C9H12N4O2S — CID 115268088

IUPAC6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C9H12N4O2S/c1-12(2)16(14,15)13(3)9-5-4-8(6-10)7-11-9/h4-5,7H,1-3H3
InChIKeyPPYRUMAYWIITBY-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.20
Rot. Bonds3

About 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile

6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 115268088) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID115268088
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C9H12N4O2S/c1-12(2)16(14,15)13(3)9-5-4-8(6-10)7-11-9/h4-5,7H,1-3H3
InChIKeyPPYRUMAYWIITBY-UHFFFAOYSA-N
XLogP0.20
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268043
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
N-(5-cyano-2-pyridinyl)-N-methylpyridine-4-carboxamide
CID 115273544
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843

Frequently Asked Questions

What is the IUPAC name of 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile (CID 115268088) is 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile is CN(C)S(=O)(=O)N(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is PPYRUMAYWIITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-12(2)16(14,15)13(3)9-5-4-8(6-10)7-11-9/h4-5,7H,1-3H3.
What are the key properties of 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile?
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 240.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115268088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).