1,4-thiazinane 1,1-dioxide

C4H9NO2S — CID 6484228

IUPAC1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2
InChIKeyNDOVLWQBFFJETK-UHFFFAOYSA-N
MW135.19 g/mol
LogP-1.00
Rot. Bonds

About 1,4-thiazinane 1,1-dioxide

1,4-thiazinane 1,1-dioxide (PubChem CID 6484228) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name1,4-thiazinane 1,1-dioxide
PubChem CID6484228
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2
InChIKeyNDOVLWQBFFJETK-UHFFFAOYSA-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 ≤ 500135.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholine 1-oxide
CID 12600299
Thiomorpholine, 2-methyl-, 1-oxide
CID 20150280
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
Thiomorpholine 1,1-dioxide hydrochloride
CID 12324096
1Lambda4-thiomorpholin-1-one hydrochloride
CID 20441479
2,2-Dimethyl-1-thiomorpholine-1,1-dione
CID 67980490
1-Imino-1lambda6-thiomorpholin-1-one
CID 68485905
2-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75421030
2,6-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 86775308
Thiomorpholinium trifluoromethanesulfonate
CID 129746437
3,3-Dimethylthiomorpholine 1,1-dioxide
CID 21751983
(2-(Ethanesulfonyl)ethyl)(methyl)amine hydrochloride
CID 53433680

Frequently Asked Questions

What is the IUPAC name of 1,4-thiazinane 1,1-dioxide?
The IUPAC name of 1,4-thiazinane 1,1-dioxide (CID 6484228) is 1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNCC1.
What is the InChIKey of 1,4-thiazinane 1,1-dioxide?
The InChIKey is NDOVLWQBFFJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2.
What are the key properties of 1,4-thiazinane 1,1-dioxide?
1,4-thiazinane 1,1-dioxide has a molecular weight of 135.19 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 1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 6484228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).