1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine

C17H21NO2S2 — CID 145379219

IUPAC1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C17H21NO2S2/c1-14-9-10-17(21-14)22(19,20)13-15-7-3-4-8-16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyOVYATCCUHIBRFL-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.02
Rot. Bonds4

About 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine

1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine (PubChem CID 145379219) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine
PubChem CID145379219
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C17H21NO2S2/c1-14-9-10-17(21-14)22(19,20)13-15-7-3-4-8-16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyOVYATCCUHIBRFL-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine 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

1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
CID 33039061
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
azane;1-(2-butylphenyl)piperidine
CID 70222464
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
1-[3-(bromomethyl)-2-methylphenyl]piperidine
CID 121004063
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
5-ethyl-3-methyl-6-(2-piperidin-1-ylphenyl)-1H-pyridin-2-one
CID 144545542
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine?
The IUPAC name of 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine (CID 145379219) is 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine.
What is the SMILES notation for 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine?
The canonical SMILES for 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine is Cc1ccc(S(=O)(=O)Cc2ccccc2N2CCCCC2)s1.
What is the InChIKey of 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine?
The InChIKey is OVYATCCUHIBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-14-9-10-17(21-14)22(19,20)13-15-7-3-4-8-16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-13H2,1H3.
What are the key properties of 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine?
1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine has a molecular weight of 335.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylthiophen-2-yl)sulfonylmethyl]phenyl]piperidine is sourced from PubChem (CID 145379219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).