(3R)-3-ethenyl-1-ethylsulfonylpiperidine

C9H17NO2S — CID 148942149

IUPAC(3R)-3-ethenyl-1-ethylsulfonylpiperidine
SMILESC=C[C@H]1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyPOCRZRBNWOWHOL-VIFPVBQESA-N
MW203.31 g/mol
LogP1.23
Rot. Bonds3

About (3R)-3-ethenyl-1-ethylsulfonylpiperidine

(3R)-3-ethenyl-1-ethylsulfonylpiperidine (PubChem CID 148942149) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (3R)-3-ethenyl-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-ethenyl-1-ethylsulfonylpiperidine
PubChem CID148942149
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(3R)-3-ethenyl-1-ethylsulfonylpiperidine
SMILESC=C[C@H]1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyPOCRZRBNWOWHOL-VIFPVBQESA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-ethenyl-1-ethylsulfonylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-1-ethylsulfonylpiperidine?
The IUPAC name of (3R)-3-ethenyl-1-ethylsulfonylpiperidine (CID 148942149) is (3R)-3-ethenyl-1-ethylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-ethenyl-1-ethylsulfonylpiperidine?
The canonical SMILES for (3R)-3-ethenyl-1-ethylsulfonylpiperidine is C=C[C@H]1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of (3R)-3-ethenyl-1-ethylsulfonylpiperidine?
The InChIKey is POCRZRBNWOWHOL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (3R)-3-ethenyl-1-ethylsulfonylpiperidine?
(3R)-3-ethenyl-1-ethylsulfonylpiperidine has a molecular weight of 203.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-1-ethylsulfonylpiperidine is sourced from PubChem (CID 148942149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).