6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

C13H23N3O2S — CID 102903322

IUPAC6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(N)nc1)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-9(2)12(10(3)4)8-16-19(17,18)11-5-6-13(14)15-7-11/h5-7,9-10,12,16H,8H2,1-4H3,(H2,14,15)
InChIKeyAMHIUIAIEQSQES-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.87
Rot. Bonds6

About 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (PubChem CID 102903322) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
PubChem CID102903322
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(N)nc1)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-9(2)12(10(3)4)8-16-19(17,18)11-5-6-13(14)15-7-11/h5-7,9-10,12,16H,8H2,1-4H3,(H2,14,15)
InChIKeyAMHIUIAIEQSQES-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185
6-amino-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104827316
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 113484660
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
6-amino-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 64602408
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (CID 102903322) is 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(N)nc1)C(C)C.
What is the InChIKey of 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The InChIKey is AMHIUIAIEQSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)12(10(3)4)8-16-19(17,18)11-5-6-13(14)15-7-11/h5-7,9-10,12,16H,8H2,1-4H3,(H2,14,15).
What are the key properties of 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 102903322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).