(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine

C10H19NO2S — CID 106735218

IUPAC(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine
SMILESCC(C)S(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C10H19NO2S/c1-9(2)14(12,13)7-5-10-4-3-6-11-8-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5-
InChIKeyPSFSDVYQDBJDKC-YHYXMXQVSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds3

About (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine

(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine (PubChem CID 106735218) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine.

Molecular Properties

Compound Name(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine
PubChem CID106735218
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine
SMILESCC(C)S(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C10H19NO2S/c1-9(2)14(12,13)7-5-10-4-3-6-11-8-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5-
InChIKeyPSFSDVYQDBJDKC-YHYXMXQVSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
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-propan-2-ylsulfonylethylidene)piperidine?
The IUPAC name of (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine (CID 106735218) is (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine.
What is the SMILES notation for (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine?
The canonical SMILES for (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine is CC(C)S(=O)(=O)C/C=C1/CCCNC1.
What is the InChIKey of (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine?
The InChIKey is PSFSDVYQDBJDKC-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)14(12,13)7-5-10-4-3-6-11-8-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5-.
What are the key properties of (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine?
(3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine has a molecular weight of 217.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-propan-2-ylsulfonylethylidene)piperidine is sourced from PubChem (CID 106735218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).