N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide

C11H18N4O4S — CID 80696978

IUPACN-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H18N4O4S/c1-2-3-4-9(7-12)14-20(18,19)10-5-6-11(13-8-10)15(16)17/h5-6,8-9,14H,2-4,7,12H2,1H3
InChIKeyKDSGTMBHLFQAFT-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.79
Rot. Bonds8

About N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide

N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide (PubChem CID 80696978) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
PubChem CID80696978
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H18N4O4S/c1-2-3-4-9(7-12)14-20(18,19)10-5-6-11(13-8-10)15(16)17/h5-6,8-9,14H,2-4,7,12H2,1H3
InChIKeyKDSGTMBHLFQAFT-UHFFFAOYSA-N
XLogP0.79
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
6-amino-N-octan-4-ylpyridine-3-sulfonamide
CID 106022026
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(4-hydroxybutan-2-yl)-6-nitropyridine-3-sulfonamide
CID 83186879
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
CID 120712483
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide (CID 80696978) is N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide?
The InChIKey is KDSGTMBHLFQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-2-3-4-9(7-12)14-20(18,19)10-5-6-11(13-8-10)15(16)17/h5-6,8-9,14H,2-4,7,12H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide?
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 80696978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).