2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

C8H15NO2S — CID 126995444

IUPAC2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C8H15NO2S/c1-3-4-9-5-6-12(10,11)8(2)7-9/h3,8H,1,4-7H2,2H3
InChIKeyMCXPRVGFHIYXQL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.29
Rot. Bonds2

About 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide

2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (PubChem CID 126995444) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
PubChem CID126995444
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCN1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C8H15NO2S/c1-3-4-9-5-6-12(10,11)8(2)7-9/h3,8H,1,4-7H2,2H3
InChIKeyMCXPRVGFHIYXQL-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Allyl-1lambda6,4-thiazinane-1,1-dione
CID 2735276
N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine
CID 169447952
3,3,5,5-Tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
CID 21394501
4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide
CID 58283341
4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
CID 58283414
4-Methyl-4-prop-2-enyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 59019154
4-Prop-2-enyl-1,4-thiazinane 1-oxide
CID 70453579
4-But-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740432
4-Prop-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740437
Methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
CID 91494220
4-(2-Methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide
CID 123233484
4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide (CID 126995444) is 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide is C=CCN1CCS(=O)(=O)C(C)C1.
What is the InChIKey of 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MCXPRVGFHIYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-9-5-6-12(10,11)8(2)7-9/h3,8H,1,4-7H2,2H3.
What are the key properties of 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide?
2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 126995444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).