N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride

C8H19ClN2O2S — CID 120583339

IUPACN-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O2S.ClH/c9-5-1-2-6-10-13(11,12)7-8-3-4-8;/h8,10H,1-7,9H2;1H
InChIKeySPPBQVZRCSFUAY-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.48
Rot. Bonds7

About N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride

N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride (PubChem CID 120583339) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
PubChem CID120583339
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O2S.ClH/c9-5-1-2-6-10-13(11,12)7-8-3-4-8;/h8,10H,1-7,9H2;1H
InChIKeySPPBQVZRCSFUAY-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.48
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)-1-cyclopropylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride (CID 120583339) is N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride is Cl.NCCCCNS(=O)(=O)CC1CC1.
What is the InChIKey of N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride?
The InChIKey is SPPBQVZRCSFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c9-5-1-2-6-10-13(11,12)7-8-3-4-8;/h8,10H,1-7,9H2;1H.
What are the key properties of N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride?
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 120583339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).