4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide

C10H19NO2S — CID 71241870

IUPAC4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC/C=C/CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-6-11-7-9-14(12,13)10-8-11/h4-5H,2-3,6-10H2,1H3/b5-4+
InChIKeyHNPWYUYLRCZYQT-SNAWJCMRSA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds4

About 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide

4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 71241870) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID71241870
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC/C=C/CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-6-11-7-9-14(12,13)10-8-11/h4-5H,2-3,6-10H2,1H3/b5-4+
InChIKeyHNPWYUYLRCZYQT-SNAWJCMRSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.07
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-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide (CID 71241870) is 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide is CCC/C=C/CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HNPWYUYLRCZYQT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-3-4-5-6-11-7-9-14(12,13)10-8-11/h4-5H,2-3,6-10H2,1H3/b5-4+.
What are the key properties of 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-2-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).