N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

C12H26ClN3O2S — CID 119993265

IUPACN-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)N1CC2CCC1C2.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-2-3-4-11(8-13)14-18(16,17)15-9-10-5-6-12(15)7-10;/h10-12,14H,2-9,13H2,1H3;1H
InChIKeyHVVUEHCSWGCVEE-UHFFFAOYSA-N
MW311.88 g/mol
LogP1.24
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (PubChem CID 119993265) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
PubChem CID119993265
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC NameN-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)N1CC2CCC1C2.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-2-3-4-11(8-13)14-18(16,17)15-9-10-5-6-12(15)7-10;/h10-12,14H,2-9,13H2,1H3;1H
InChIKeyHVVUEHCSWGCVEE-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (CID 119993265) is N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)N1CC2CCC1C2.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The InChIKey is HVVUEHCSWGCVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-2-3-4-11(8-13)14-18(16,17)15-9-10-5-6-12(15)7-10;/h10-12,14H,2-9,13H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119993265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).