N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride

C22H31ClN2O2S — CID 69420248

IUPACN-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc4ccccc34)C2)CC1.Cl
InChIInChI=1S/C22H30N2O2S.ClH/c1-17-12-14-24(15-13-17)20-11-10-19(16-20)23(2)27(25,26)22-9-5-7-18-6-3-4-8-21(18)22;/h3-9,17,19-20H,10-16H2,1-2H3;1H
InChIKeyNTQHELFAKSUCFV-UHFFFAOYSA-N
MW423.02 g/mol
LogP4.54
Rot. Bonds4

About N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride

N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride (PubChem CID 69420248) has the molecular formula C22H31ClN2O2S and a molecular weight of 423.02 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
PubChem CID69420248
Molecular FormulaC22H31ClN2O2S
Molecular Weight423.02 g/mol
Exact Mass422.18
IUPAC NameN-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc4ccccc34)C2)CC1.Cl
InChIInChI=1S/C22H30N2O2S.ClH/c1-17-12-14-24(15-13-17)20-11-10-19(16-20)23(2)27(25,26)22-9-5-7-18-6-3-4-8-21(18)22;/h3-9,17,19-20H,10-16H2,1-2H3;1H
InChIKeyNTQHELFAKSUCFV-UHFFFAOYSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.02
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride (CID 69420248) is N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride is CC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc4ccccc34)C2)CC1.Cl.
What is the InChIKey of N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is NTQHELFAKSUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S.ClH/c1-17-12-14-24(15-13-17)20-11-10-19(16-20)23(2)27(25,26)22-9-5-7-18-6-3-4-8-21(18)22;/h3-9,17,19-20H,10-16H2,1-2H3;1H.
What are the key properties of N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride?
N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 423.02 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 69420248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).