4-deuterio-1,4-thiazinane 1,1-dioxide

C4H9NO2S — CID 175861897

IUPAC4-deuterio-1,4-thiazinane 1,1-dioxide
SMILES[2H]N1CCS(=O)(=O)CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/i/hD
InChIKeyNDOVLWQBFFJETK-DYCDLGHISA-N
MW136.19 g/mol
LogP-1.00
Rot. Bonds

About 4-deuterio-1,4-thiazinane 1,1-dioxide

4-deuterio-1,4-thiazinane 1,1-dioxide (PubChem CID 175861897) has the molecular formula C4H9NO2S and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-deuterio-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-deuterio-1,4-thiazinane 1,1-dioxide
PubChem CID175861897
Molecular FormulaC4H9NO2S
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name4-deuterio-1,4-thiazinane 1,1-dioxide
SMILES[2H]N1CCS(=O)(=O)CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/i/hD
InChIKeyNDOVLWQBFFJETK-DYCDLGHISA-N
XLogP-1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-deuterio-1,4-thiazinane 1,1-dioxide (CID 175861897) is 4-deuterio-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-deuterio-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-deuterio-1,4-thiazinane 1,1-dioxide is [2H]N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-deuterio-1,4-thiazinane 1,1-dioxide?
The InChIKey is NDOVLWQBFFJETK-DYCDLGHISA-N. The full InChI is InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/i/hD.
What are the key properties of 4-deuterio-1,4-thiazinane 1,1-dioxide?
4-deuterio-1,4-thiazinane 1,1-dioxide has a molecular weight of 136.19 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 175861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).