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

C7H13NO2S — CID 76740437

IUPAC4-prop-1-enyl-1,4-thiazinane 1,1-dioxide
SMILESCC=CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-3H,4-7H2,1H3
InChIKeyZUCUZSDKRAQTIW-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.25
Rot. Bonds1

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

4-prop-1-enyl-1,4-thiazinane 1,1-dioxide (PubChem CID 76740437) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-prop-1-enyl-1,4-thiazinane 1,1-dioxide
PubChem CID76740437
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-prop-1-enyl-1,4-thiazinane 1,1-dioxide
SMILESCC=CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-3H,4-7H2,1H3
InChIKeyZUCUZSDKRAQTIW-UHFFFAOYSA-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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Related Compounds

4-Allyl-1lambda6,4-thiazinane-1,1-dione
CID 2735276
4-Ethenyl-1,4-thiazinane 1,1-dioxide
CID 58283302
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-Methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 59520041
4-Prop-1-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 68271847
4-But-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740432
Ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 90687463
4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682
4-But-2-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 123875902
4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 131247911

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide (CID 76740437) is 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide is CC=CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZUCUZSDKRAQTIW-UHFFFAOYSA-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.
What are the key properties of 4-prop-1-enyl-1,4-thiazinane 1,1-dioxide?
4-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-prop-1-enyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 76740437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).