4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide

C10H17NO2S — CID 123713020

IUPAC4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=CCC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-3-5-10(4-2)11-6-8-14(12,13)9-7-11/h4-5H,2-3,6-9H2,1H3
InChIKeyCHPAYVXUOHOKHP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.20
Rot. Bonds3

About 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide

4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 123713020) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide
PubChem CID123713020
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=CCC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-3-5-10(4-2)11-6-8-14(12,13)9-7-11/h4-5H,2-3,6-9H2,1H3
InChIKeyCHPAYVXUOHOKHP-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 71241870
4-Hex-2-enyl-1,4-thiazinane 1,1-dioxide
CID 78045089
4-(4-Methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide
CID 123230833
4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682
4-Penta-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide
CID 123532534
(3Z)-5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylhexa-3,5-dien-2-imine
CID 123712125
4-Pent-2-en-3-yl-1,4-thiazinane 1,1-dioxide
CID 123782124
5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 129238807
4-[(3E,5Z)-5-propan-2-ylhepta-1,3,5-trien-3-yl]-1,4-thiazinane 1-oxide
CID 142533899
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide
CID 143233883
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide
CID 143233892
(3E)-N-(2-ethylsulfonylethyl)-N-methylhexa-1,3,5-trien-3-amine
CID 145685209

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide (CID 123713020) is 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide is C=CC(=CCC)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is CHPAYVXUOHOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-5-10(4-2)11-6-8-14(12,13)9-7-11/h4-5H,2-3,6-9H2,1H3.
What are the key properties of 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide?
4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123713020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).