6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide

C12H21N3O2S — CID 114613735

IUPAC6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)C(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(12(2,3)4)15-18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8-9,15H,7,13H2,1-4H3
InChIKeyNBQHYJCVHHHLFK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.25
Rot. Bonds4

About 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 114613735) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID114613735
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)C(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(12(2,3)4)15-18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8-9,15H,7,13H2,1-4H3
InChIKeyNBQHYJCVHHHLFK-UHFFFAOYSA-N
XLogP1.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104827316
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
CID 114613286
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 106079027
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (CID 114613735) is 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(CN)nc1)C(C)(C)C.
What is the InChIKey of 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is NBQHYJCVHHHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(12(2,3)4)15-18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8-9,15H,7,13H2,1-4H3.
What are the key properties of 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).