4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide

C12H23NO2S — CID 70636264

IUPAC4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
SMILESC=CC(C)N1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C12H23NO2S/c1-7-10(2)13-11(3,4)8-16(14,15)9-12(13,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyUHJOVNJAIJCFAG-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.85
Rot. Bonds2

About 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide

4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 70636264) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
PubChem CID70636264
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
SMILESC=CC(C)N1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C12H23NO2S/c1-7-10(2)13-11(3,4)8-16(14,15)9-12(13,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyUHJOVNJAIJCFAG-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide (CID 70636264) is 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide is C=CC(C)N1C(C)(C)CS(=O)(=O)CC1(C)C.
What is the InChIKey of 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is UHJOVNJAIJCFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-7-10(2)13-11(3,4)8-16(14,15)9-12(13,5)6/h7,10H,1,8-9H2,2-6H3.
What are the key properties of 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide?
4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 245.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 70636264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).