N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide

C17H22N2O2S — CID 3852202

IUPACN-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O2S/c1-18-12-10-15(11-13-18)19(2)22(20,21)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3
InChIKeyLIWASMXRSKETJJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide (PubChem CID 3852202) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide
PubChem CID3852202
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O2S/c1-18-12-10-15(11-13-18)19(2)22(20,21)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3
InChIKeyLIWASMXRSKETJJ-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-(1-Naphthylsulfonyl)piperidine
CID 962543
(3H)SB-733993
CID 73755092
N-(6-Aminohexyl)-1-naphthalenesulfonamide
CID 4314
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 808062
1-Methyl-4-(naphthalene-2-sulfonyl)piperazine
CID 872090
1-Ethyl-4-(naphthalen-2-ylsulfonyl)piperazine
CID 973966
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide (CID 3852202) is N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The InChIKey is LIWASMXRSKETJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-18-12-10-15(11-13-18)19(2)22(20,21)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3852202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).