N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride

C19H27ClN2O2S — CID 173425758

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCC1CCCC(C)N1CCNS(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C19H26N2O2S.ClH/c1-15-7-5-8-16(2)21(15)14-13-20-24(22,23)19-12-6-10-17-9-3-4-11-18(17)19;/h3-4,6,9-12,15-16,20H,5,7-8,13-14H2,1-2H3;1H
InChIKeyHQFDLVBRYILFON-UHFFFAOYSA-N
MW382.96 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride (PubChem CID 173425758) has the molecular formula C19H27ClN2O2S and a molecular weight of 382.96 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride
PubChem CID173425758
Molecular FormulaC19H27ClN2O2S
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCC1CCCC(C)N1CCNS(=O)(=O)c1cccc2ccccc12.Cl
InChIInChI=1S/C19H26N2O2S.ClH/c1-15-7-5-8-16(2)21(15)14-13-20-24(22,23)19-12-6-10-17-9-3-4-11-18(17)19;/h3-4,6,9-12,15-16,20H,5,7-8,13-14H2,1-2H3;1H
InChIKeyHQFDLVBRYILFON-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
CID 142259991
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 121139409
N-[(2-aminocyclopentyl)methyl]naphthalene-1-sulfonamide
CID 115752311
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
1-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(naphthalen-1-ylsulfonylamino)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 11237788
N-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(naphthalen-1-ylsulfonylamino)propan-2-yl]-3-methoxybenzamide
CID 11398106
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 139889293
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride (CID 173425758) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride is CC1CCCC(C)N1CCNS(=O)(=O)c1cccc2ccccc12.Cl.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is HQFDLVBRYILFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S.ClH/c1-15-7-5-8-16(2)21(15)14-13-20-24(22,23)19-12-6-10-17-9-3-4-11-18(17)19;/h3-4,6,9-12,15-16,20H,5,7-8,13-14H2,1-2H3;1H.
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 382.96 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 173425758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).