N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide

C11H19N3O2S — CID 97225499

IUPACN-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
SMILESCCCC[C@@H](CN)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-2-3-5-10(8-12)14-17(15,16)11-6-4-7-13-9-11/h4,6-7,9-10,14H,2-3,5,8,12H2,1H3/t10-/m0/s1
InChIKeyYHQXMRWVQVYZPT-JTQLQIEISA-N
MW257.36 g/mol
LogP0.88
Rot. Bonds7

About N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide

N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide (PubChem CID 97225499) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
PubChem CID97225499
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
SMILESCCCC[C@@H](CN)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-2-3-5-10(8-12)14-17(15,16)11-6-4-7-13-9-11/h4,6-7,9-10,14H,2-3,5,8,12H2,1H3/t10-/m0/s1
InChIKeyYHQXMRWVQVYZPT-JTQLQIEISA-N
XLogP0.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
CID 80696978
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide (CID 97225499) is N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide is CCCC[C@@H](CN)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YHQXMRWVQVYZPT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-3-5-10(8-12)14-17(15,16)11-6-4-7-13-9-11/h4,6-7,9-10,14H,2-3,5,8,12H2,1H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide?
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97225499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).