N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine

C9H15N3O2S — CID 110724815

IUPACN-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C9H15N3O2S/c1-11(2)15(13,14)12(3)8-9-4-6-10-7-5-9/h4-7H,8H2,1-3H3
InChIKeyZJKXBJZNWHTBPL-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.32
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine

N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 110724815) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID110724815
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C9H15N3O2S/c1-11(2)15(13,14)12(3)8-9-4-6-10-7-5-9/h4-7H,8H2,1-3H3
InChIKeyZJKXBJZNWHTBPL-UHFFFAOYSA-N
XLogP0.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
CID 43653893
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 47020938
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine (CID 110724815) is N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine is CN(C)S(=O)(=O)N(C)Cc1ccncc1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is ZJKXBJZNWHTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-11(2)15(13,14)12(3)8-9-4-6-10-7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine?
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 229.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 110724815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).