N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine

C12H21N3O2S — CID 86931183

IUPACN-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
SMILESCCCCN(C)S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H21N3O2S/c1-4-5-9-14(2)18(16,17)15(3)11-12-7-6-8-13-10-12/h6-8,10H,4-5,9,11H2,1-3H3
InChIKeyKHTOTUBVRYSUNI-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.49
Rot. Bonds7

About N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine

N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine (PubChem CID 86931183) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
PubChem CID86931183
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
SMILESCCCCN(C)S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H21N3O2S/c1-4-5-9-14(2)18(16,17)15(3)11-12-7-6-8-13-10-12/h6-8,10H,4-5,9,11H2,1-3H3
InChIKeyKHTOTUBVRYSUNI-UHFFFAOYSA-N
XLogP1.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
CID 126806555
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine?
The IUPAC name of N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine (CID 86931183) is N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine is CCCCN(C)S(=O)(=O)N(C)Cc1cccnc1.
What is the InChIKey of N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine?
The InChIKey is KHTOTUBVRYSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-5-9-14(2)18(16,17)15(3)11-12-7-6-8-13-10-12/h6-8,10H,4-5,9,11H2,1-3H3.
What are the key properties of N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine?
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine is sourced from PubChem (CID 86931183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).