4-(2-methylprop-2-enylsulfonylmethyl)piperidine

C10H19NO2S — CID 82182033

IUPAC4-(2-methylprop-2-enylsulfonylmethyl)piperidine
SMILESC=C(C)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C10H19NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h10-11H,1,3-8H2,2H3
InChIKeyRUAQLTQXEYIWLW-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.98
Rot. Bonds4

About 4-(2-methylprop-2-enylsulfonylmethyl)piperidine

4-(2-methylprop-2-enylsulfonylmethyl)piperidine (PubChem CID 82182033) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylprop-2-enylsulfonylmethyl)piperidine
PubChem CID82182033
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(2-methylprop-2-enylsulfonylmethyl)piperidine
SMILESC=C(C)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C10H19NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h10-11H,1,3-8H2,2H3
InChIKeyRUAQLTQXEYIWLW-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylsulfonylmethyl)piperidine?
The IUPAC name of 4-(2-methylprop-2-enylsulfonylmethyl)piperidine (CID 82182033) is 4-(2-methylprop-2-enylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylprop-2-enylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(2-methylprop-2-enylsulfonylmethyl)piperidine is C=C(C)CS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 4-(2-methylprop-2-enylsulfonylmethyl)piperidine?
The InChIKey is RUAQLTQXEYIWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h10-11H,1,3-8H2,2H3.
What are the key properties of 4-(2-methylprop-2-enylsulfonylmethyl)piperidine?
4-(2-methylprop-2-enylsulfonylmethyl)piperidine has a molecular weight of 217.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enylsulfonylmethyl)piperidine is sourced from PubChem (CID 82182033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).