N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

C10H22ClN3O2S — CID 120583263

IUPACN-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H21N3O2S.ClH/c11-5-1-2-6-12-16(14,15)13-8-9-3-4-10(13)7-9;/h9-10,12H,1-8,11H2;1H
InChIKeyABDRWPVPGAOCJB-UHFFFAOYSA-N
MW283.82 g/mol
LogP0.47
Rot. Bonds6

About N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride

N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (PubChem CID 120583263) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
PubChem CID120583263
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC NameN-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H21N3O2S.ClH/c11-5-1-2-6-12-16(14,15)13-8-9-3-4-10(13)7-9;/h9-10,12H,1-8,11H2;1H
InChIKeyABDRWPVPGAOCJB-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride (CID 120583263) is N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is Cl.NCCCCNS(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
The InChIKey is ABDRWPVPGAOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c11-5-1-2-6-12-16(14,15)13-8-9-3-4-10(13)7-9;/h9-10,12H,1-8,11H2;1H.
What are the key properties of N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride?
N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-azabicyclo[2.2.1]heptane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120583263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).