6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide

C13H24N4O2S — CID 114613286

IUPAC6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-6-5-11(7-14)15-8-12/h5-6,8,10,13,16H,7,9,14H2,1-4H3
InChIKeyYKSVZSXCGHEZER-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.40
Rot. Bonds7

About 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide

6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide (PubChem CID 114613286) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
PubChem CID114613286
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-6-5-11(7-14)15-8-12/h5-6,8,10,13,16H,7,9,14H2,1-4H3
InChIKeyYKSVZSXCGHEZER-UHFFFAOYSA-N
XLogP0.40
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62159357
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide (CID 114613286) is 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YKSVZSXCGHEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-6-5-11(7-14)15-8-12/h5-6,8,10,13,16H,7,9,14H2,1-4H3.
What are the key properties of 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).