2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

C19H24N2O2S — CID 134788118

IUPAC2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23)14-4-11-21(24)18-9-12-20(13-10-18)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2
InChIKeyIWWVHENOXFKTGH-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.84
Rot. Bonds3

About 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 134788118) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID134788118
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23)14-4-11-21(24)18-9-12-20(13-10-18)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2
InChIKeyIWWVHENOXFKTGH-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide 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-[(1,3,4,6,7,11bbeta-Hexahydro-2H-benzo[a]quinolizin)-2alpha-yl]-N-methyl-1-propanesulfonamide
CID 12783216
CID 14107006
CID 14107006
2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 669275
N-[(2S,11bR)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpropane-1-sulfonamide
CID 3036189
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylbutane-1-sulfonamide
CID 12783209
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylethanesulfonamide
CID 12783214
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-2-(dimethylamino)-N-methylethanesulfonamide
CID 13217518
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylethenesulfonamide
CID 13217526
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpentane-1-sulfonamide
CID 14107000
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide
CID 14107010
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-ethyl-2-methylpropane-1-sulfonamide
CID 44280195
N-Biphenyl-2-ylmethyl-N-((S)-1-methyl-pyrrolidin-3-yl)-methanesulfonamide
CID 44578269

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (CID 134788118) is 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1C1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IWWVHENOXFKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-24(23)14-4-11-21(24)18-9-12-20(13-10-18)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2.
What are the key properties of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 344.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 134788118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).