N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide

C12H21N3O2S — CID 103303046

IUPACN-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ncccc1NCC
InChIInChI=1S/C12H21N3O2S/c1-4-6-10-15(3)18(16,17)12-11(13-5-2)8-7-9-14-12/h7-9,13H,4-6,10H2,1-3H3
InChIKeyXFLINNSWGLIPPC-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.93
Rot. Bonds7

About N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide

N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide (PubChem CID 103303046) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
PubChem CID103303046
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ncccc1NCC
InChIInChI=1S/C12H21N3O2S/c1-4-6-10-15(3)18(16,17)12-11(13-5-2)8-7-9-14-12/h7-9,13H,4-6,10H2,1-3H3
InChIKeyXFLINNSWGLIPPC-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
CID 103305035
3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306092
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-butyl-3-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 115993200
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide (CID 103303046) is N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide is CCCCN(C)S(=O)(=O)c1ncccc1NCC.
What is the InChIKey of N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide?
The InChIKey is XFLINNSWGLIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-6-10-15(3)18(16,17)12-11(13-5-2)8-7-9-14-12/h7-9,13H,4-6,10H2,1-3H3.
What are the key properties of N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide?
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103303046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).