4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide

C10H17NO2S — CID 123230833

IUPAC4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-5-7-14(12,13)8-6-11/h4H,1,5-8H2,2-3H3
InChIKeyWWZSIMXNSYAZAT-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.20
Rot. Bonds2

About 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide

4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 123230833) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID123230833
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-5-7-14(12,13)8-6-11/h4H,1,5-8H2,2-3H3
InChIKeyWWZSIMXNSYAZAT-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(4-methylpenta-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-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
4-Hexa-1,3-dien-3-yl-1,4-thiazinane 1,1-dioxide
CID 123713020
5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 129238807
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide
CID 143233892
4-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-1,4-thiazinane 1,1-dioxide
CID 143269479
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 144900906
(3E)-N-(2-ethylsulfonylethyl)-N-methylhexa-1,3,5-trien-3-amine
CID 145685209
4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 154937198
4-(5,5-Dimethylcyclohepta-1,3,6-trien-1-yl)-1,4-thiazinane 1,1-dioxide
CID 163952146
4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 143520564

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide (CID 123230833) is 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide is C=CC(=C(C)C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WWZSIMXNSYAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-5-7-14(12,13)8-6-11/h4H,1,5-8H2,2-3H3.
What are the key properties of 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide?
4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpenta-1,3-dien-3-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123230833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).