2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide

C12H21N3O2S — CID 106594380

IUPAC2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H21N3O2S/c1-3-6-10(4-2)15-18(16,17)12-7-5-8-14-11(12)9-13/h5,7-8,10,15H,3-4,6,9,13H2,1-2H3
InChIKeyHLUGWYKTQVHMOA-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.40
Rot. Bonds7

About 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide

2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide (PubChem CID 106594380) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
PubChem CID106594380
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C12H21N3O2S/c1-3-6-10(4-2)15-18(16,17)12-7-5-8-14-11(12)9-13/h5,7-8,10,15H,3-4,6,9,13H2,1-2H3
InChIKeyHLUGWYKTQVHMOA-UHFFFAOYSA-N
XLogP1.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 106593879
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide (CID 106594380) is 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide?
The InChIKey is HLUGWYKTQVHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-6-10(4-2)15-18(16,17)12-7-5-8-14-11(12)9-13/h5,7-8,10,15H,3-4,6,9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide?
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106594380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).