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

C10H17N3O4S2 — CID 106594703

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H17N3O4S2/c1-13(6-7-18(2,14)15)19(16,17)10-4-3-5-12-9(10)8-11/h3-5H,6-8,11H2,1-2H3
InChIKeyAAKGVQOBCHFORG-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.79
Rot. Bonds6

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

2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide (PubChem CID 106594703) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
PubChem CID106594703
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H17N3O4S2/c1-13(6-7-18(2,14)15)19(16,17)10-4-3-5-12-9(10)8-11/h3-5H,6-8,11H2,1-2H3
InChIKeyAAKGVQOBCHFORG-UHFFFAOYSA-N
XLogP-0.79
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
2-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594079
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide (CID 106594703) is 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide?
The InChIKey is AAKGVQOBCHFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-13(6-7-18(2,14)15)19(16,17)10-4-3-5-12-9(10)8-11/h3-5H,6-8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).