4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide

C11H17NO2S — CID 146665923

IUPAC4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C11H17NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyMOWQKASEKACRPM-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.99
Rot. Bonds2

About 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 146665923) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID146665923
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C11H17NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyMOWQKASEKACRPM-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 146665923) is 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is MOWQKASEKACRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 227.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146665923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).