6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine

C12H15NO2S — CID 15518938

IUPAC6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine
SMILESO=S(=O)(CC1=NCCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-3,7-8H,4-6,9-10H2
InChIKeyGWBALDAFZQCAEM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.09
Rot. Bonds3

About 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine

6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 15518938) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine
PubChem CID15518938
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine
SMILESO=S(=O)(CC1=NCCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-3,7-8H,4-6,9-10H2
InChIKeyGWBALDAFZQCAEM-UHFFFAOYSA-N
XLogP2.09
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine 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

4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
4-(benzenesulfonylmethyl)pyridazine
CID 15356776
7-(benzenesulfonylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 46882673
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
2-fluoroethylsulfonylbenzene
CID 66796542
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
3-(benzenesulfonylmethyl)pyrazine-2-carbaldehyde
CID 58978766
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
3-(2,3,4,5-tetrahydropyridin-6-ylmethyl)benzoic acid
CID 157121600
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 75356713
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine (CID 15518938) is 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine is O=S(=O)(CC1=NCCCC1)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is GWBALDAFZQCAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-3,7-8H,4-6,9-10H2.
What are the key properties of 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine?
6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 237.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 15518938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).