(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine

C11H20N2O2S — CID 154934323

IUPAC(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine
SMILESC/C=C1/CCCN(CC)/C1=C/CNS(=O)O
InChIInChI=1S/C11H20N2O2S/c1-3-10-6-5-9-13(4-2)11(10)7-8-12-16(14)15/h3,7,12H,4-6,8-9H2,1-2H3,(H,14,15)/b10-3-,11-7+
InChIKeyVNTPTKJYJVEOIR-RENWBRRUSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds4

About (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine

(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine (PubChem CID 154934323) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine.

Molecular Properties

Compound Name(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine
PubChem CID154934323
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine
SMILESC/C=C1/CCCN(CC)/C1=C/CNS(=O)O
InChIInChI=1S/C11H20N2O2S/c1-3-10-6-5-9-13(4-2)11(10)7-8-12-16(14)15/h3,7,12H,4-6,8-9H2,1-2H3,(H,14,15)/b10-3-,11-7+
InChIKeyVNTPTKJYJVEOIR-RENWBRRUSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine?
The IUPAC name of (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine (CID 154934323) is (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine.
What is the SMILES notation for (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine?
The canonical SMILES for (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine is C/C=C1/CCCN(CC)/C1=C/CNS(=O)O.
What is the InChIKey of (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine?
The InChIKey is VNTPTKJYJVEOIR-RENWBRRUSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-10-6-5-9-13(4-2)11(10)7-8-12-16(14)15/h3,7,12H,4-6,8-9H2,1-2H3,(H,14,15)/b10-3-,11-7+.
What are the key properties of (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine?
(2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine has a molecular weight of 244.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-ethyl-3-ethylidene-2-[2-(sulfinoamino)ethylidene]piperidine is sourced from PubChem (CID 154934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).