N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C12H21N3O2S2 — CID 112664021

IUPACN-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C12H21N3O2S2/c1-5-10(9-18-4)15(3)19(16,17)11-7-6-8-14-12(11)13-2/h6-8,10H,5,9H2,1-4H3,(H,13,14)
InChIKeyDDMQYOVAJJQUEO-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.89
Rot. Bonds7

About N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 112664021) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID112664021
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C12H21N3O2S2/c1-5-10(9-18-4)15(3)19(16,17)11-7-6-8-14-12(11)13-2/h6-8,10H,5,9H2,1-4H3,(H,13,14)
InChIKeyDDMQYOVAJJQUEO-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115987152
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 112551419
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 115993796

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 112664021) is N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1cccnc1NC.
What is the InChIKey of N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is DDMQYOVAJJQUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-5-10(9-18-4)15(3)19(16,17)11-7-6-8-14-12(11)13-2/h6-8,10H,5,9H2,1-4H3,(H,13,14).
What are the key properties of N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 112664021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).