N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride

C15H23ClN2O4S — CID 120585220

IUPACN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cccc2c1OCCO2)C1CCCC1
InChIInChI=1S/C15H22N2O4S.ClH/c16-10-12(11-4-1-2-5-11)17-22(18,19)14-7-3-6-13-15(14)21-9-8-20-13;/h3,6-7,11-12,17H,1-2,4-5,8-10,16H2;1H
InChIKeyRXGPOWWWLSHWPL-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.68
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride (PubChem CID 120585220) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
PubChem CID120585220
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cccc2c1OCCO2)C1CCCC1
InChIInChI=1S/C15H22N2O4S.ClH/c16-10-12(11-4-1-2-5-11)17-22(18,19)14-7-3-6-13-15(14)21-9-8-20-13;/h3,6-7,11-12,17H,1-2,4-5,8-10,16H2;1H
InChIKeyRXGPOWWWLSHWPL-UHFFFAOYSA-N
XLogP1.68
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
N-(2-amino-1-cyclopentylethyl)-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120585219
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
1-N-(2-amino-1-cyclopropylethyl)-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120711256
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119986897
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride (CID 120585220) is N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cccc2c1OCCO2)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride?
The InChIKey is RXGPOWWWLSHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c16-10-12(11-4-1-2-5-11)17-22(18,19)14-7-3-6-13-15(14)21-9-8-20-13;/h3,6-7,11-12,17H,1-2,4-5,8-10,16H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120585220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).