1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone

C6H11NO3S — CID 173253418

IUPAC1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone
SMILESCC(=O)C1CNCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5(8)6-4-7-2-3-11(6,9)10/h6-7H,2-4H2,1H3
InChIKeyLFTUCOGJFDDFAF-UHFFFAOYSA-N
MW177.22 g/mol
LogP-1.04
Rot. Bonds1

About 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone

1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone (PubChem CID 173253418) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone
PubChem CID173253418
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone
SMILESCC(=O)C1CNCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5(8)6-4-7-2-3-11(6,9)10/h6-7H,2-4H2,1H3
InChIKeyLFTUCOGJFDDFAF-UHFFFAOYSA-N
XLogP-1.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-1,4-thiazinan-2-ol
CID 173064377
(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
CID 124680559
1-(1,1,4,4-tetraoxo-1,4-dithian-2-yl)ethanone
CID 172869384
2-cyclopentyl-1,4-thiazinane 1,1-dioxide
CID 173061390
(7R)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 97032251
N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide
CID 155955403
2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 82298549
2-(4-iodophenyl)-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 66654177
4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline
CID 67006004
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
CID 106627867
methyl formate;2-phenyl-1,4-thiazinane 1,1-dioxide
CID 175299719

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone (CID 173253418) is 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone is CC(=O)C1CNCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone?
The InChIKey is LFTUCOGJFDDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-5(8)6-4-7-2-3-11(6,9)10/h6-7H,2-4H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone?
1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone has a molecular weight of 177.22 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone is sourced from PubChem (CID 173253418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).