N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119981214

IUPACN-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11;/h5-9,14H,3-4,10,13H2,1-2H3;1H
InChIKeyUZNRBPAQBYZARC-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.90
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 119981214) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
PubChem CID119981214
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11;/h5-9,14H,3-4,10,13H2,1-2H3;1H
InChIKeyUZNRBPAQBYZARC-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride (CID 119981214) is N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is UZNRBPAQBYZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-3-12(4-2,10-13)14-17(15,16)11-8-6-5-7-9-11;/h5-9,14H,3-4,10,13H2,1-2H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).