2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide

C12H21N3O2S — CID 106593839

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H21N3O2S/c1-4-10(2)9-15(3)18(16,17)12-6-5-7-14-11(12)8-13/h5-7,10H,4,8-9,13H2,1-3H3
InChIKeyALVLHMHJGVTAKE-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.21
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide (PubChem CID 106593839) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
PubChem CID106593839
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H21N3O2S/c1-4-10(2)9-15(3)18(16,17)12-6-5-7-14-11(12)8-13/h5-7,10H,4,8-9,13H2,1-3H3
InChIKeyALVLHMHJGVTAKE-UHFFFAOYSA-N
XLogP1.21
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295859

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide (CID 106593839) is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide is CCC(C)CN(C)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is ALVLHMHJGVTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-10(2)9-15(3)18(16,17)12-6-5-7-14-11(12)8-13/h5-7,10H,4,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106593839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).