N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide

C12H21N3O2S — CID 64582352

IUPACN-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)10(3)7-15-18(16,17)12-8-14-6-5-11(12)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14)
InChIKeyLMRPJUCNOGDQKE-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.69
Rot. Bonds6

About N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide

N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 64582352) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID64582352
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)10(3)7-15-18(16,17)12-8-14-6-5-11(12)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14)
InChIKeyLMRPJUCNOGDQKE-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 106015015
N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
CID 64605130
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
CID 115327205
N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
CID 82960227
2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
CID 64596836
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107630794
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide (CID 64582352) is N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is LMRPJUCNOGDQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)10(3)7-15-18(16,17)12-8-14-6-5-11(12)13-4/h5-6,8-10,15H,7H2,1-4H3,(H,13,14).
What are the key properties of N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide?
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).