N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

C15H27ClN2O4S — CID 119981229

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O4S.ClH/c1-4-15(5-2,12-16)17-22(18,19)14-8-6-13(7-9-14)21-11-10-20-3;/h6-9,17H,4-5,10-12,16H2,1-3H3;1H
InChIKeyBCRCCXOWHFNQEN-UHFFFAOYSA-N
MW366.91 g/mol
LogP1.93
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119981229) has the molecular formula C15H27ClN2O4S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
PubChem CID119981229
Molecular FormulaC15H27ClN2O4S
Molecular Weight366.91 g/mol
Exact Mass366.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O4S.ClH/c1-4-15(5-2,12-16)17-22(18,19)14-8-6-13(7-9-14)21-11-10-20-3;/h6-9,17H,4-5,10-12,16H2,1-3H3;1H
InChIKeyBCRCCXOWHFNQEN-UHFFFAOYSA-N
XLogP1.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (CID 119981229) is N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BCRCCXOWHFNQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S.ClH/c1-4-15(5-2,12-16)17-22(18,19)14-8-6-13(7-9-14)21-11-10-20-3;/h6-9,17H,4-5,10-12,16H2,1-3H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).