(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine

C11H21NO2S — CID 106735217

IUPAC(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine
SMILESCC(C)(C)S(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)8-6-10-5-4-7-12-9-10/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyBULKNUMUMIKJHC-POHAHGRESA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds2

About (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine

(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine (PubChem CID 106735217) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine.

Molecular Properties

Compound Name(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine
PubChem CID106735217
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine
SMILESCC(C)(C)S(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)8-6-10-5-4-7-12-9-10/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyBULKNUMUMIKJHC-POHAHGRESA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.51
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 (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine?
The IUPAC name of (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine (CID 106735217) is (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine.
What is the SMILES notation for (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine?
The canonical SMILES for (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine is CC(C)(C)S(=O)(=O)C/C=C1/CCCNC1.
What is the InChIKey of (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine?
The InChIKey is BULKNUMUMIKJHC-POHAHGRESA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)8-6-10-5-4-7-12-9-10/h6,12H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine?
(3Z)-3-(2-tert-butylsulfonylethylidene)piperidine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-tert-butylsulfonylethylidene)piperidine is sourced from PubChem (CID 106735217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).