N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride

C13H17ClN2O2S — CID 174226998

IUPACN-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(CCN)S(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-15(10-9-14)18(16,17)13-8-4-6-11-5-2-3-7-12(11)13;/h2-8H,9-10,14H2,1H3;1H
InChIKeyXYAULXSRXFUDNX-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.84
Rot. Bonds4

About N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride

N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 174226998) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID174226998
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(CCN)S(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-15(10-9-14)18(16,17)13-8-4-6-11-5-2-3-7-12(11)13;/h2-8H,9-10,14H2,1H3;1H
InChIKeyXYAULXSRXFUDNX-UHFFFAOYSA-N
XLogP1.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride (CID 174226998) is N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride is CN(CCN)S(=O)(=O)c1cccc2ccccc12.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is XYAULXSRXFUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S.ClH/c1-15(10-9-14)18(16,17)13-8-4-6-11-5-2-3-7-12(11)13;/h2-8H,9-10,14H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride?
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 174226998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).