4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide

C7H13NO2S — CID 58283414

IUPAC4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC/C=C/N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyZUCUZSDKRAQTIW-NSCUHMNNSA-N
MW175.25 g/mol
LogP0.25
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide

4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283414) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283414
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC/C=C/N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyZUCUZSDKRAQTIW-NSCUHMNNSA-N
XLogP0.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide (CID 58283414) is 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide is C/C=C/N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZUCUZSDKRAQTIW-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 175.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).