(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine

C11H18N2O2S — CID 123712125

IUPAC(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O2S/c1-10(12-3)4-5-11(2)13-6-8-16(14,15)9-7-13/h4-5H,2,6-9H2,1,3H3/b5-4-,12-10+
InChIKeyHMZLULGLWKDCRQ-KYTHIUCFSA-N
MW242.34 g/mol
LogP0.88
Rot. Bonds3

About (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine

(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine (PubChem CID 123712125) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine
PubChem CID123712125
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O2S/c1-10(12-3)4-5-11(2)13-6-8-16(14,15)9-7-13/h4-5H,2,6-9H2,1,3H3/b5-4-,12-10+
InChIKeyHMZLULGLWKDCRQ-KYTHIUCFSA-N
XLogP0.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine (CID 123712125) is (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine is C=C(/C=C\C(C)=N\C)N1CCS(=O)(=O)CC1.
What is the InChIKey of (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine?
The InChIKey is HMZLULGLWKDCRQ-KYTHIUCFSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10(12-3)4-5-11(2)13-6-8-16(14,15)9-7-13/h4-5H,2,6-9H2,1,3H3/b5-4-,12-10+.
What are the key properties of (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine?
(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine has a molecular weight of 242.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 123712125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).