3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide

C13H23N3O2S — CID 103305564

IUPAC3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(2)9-16(11(3)4)19(17,18)13-12(14-5)7-6-8-15-13/h6-8,10-11,14H,9H2,1-5H3
InChIKeyLTSGZRQOGWPOQG-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.18
Rot. Bonds6

About 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide

3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide (PubChem CID 103305564) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
PubChem CID103305564
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(2)9-16(11(3)4)19(17,18)13-12(14-5)7-6-8-15-13/h6-8,10-11,14H,9H2,1-5H3
InChIKeyLTSGZRQOGWPOQG-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(methylamino)-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103305597
N-methyl-3-(methylamino)-N-pyridin-4-ylpyridine-2-sulfonamide
CID 106936960
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107485934
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305526
N-cyclopropyl-3-(ethylamino)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305175
N-methyl-2-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 103303592
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide (CID 103305564) is 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is LTSGZRQOGWPOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)9-16(11(3)4)19(17,18)13-12(14-5)7-6-8-15-13/h6-8,10-11,14H,9H2,1-5H3.
What are the key properties of 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide?
3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 103305564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).