2-ethyl-1,1-dioxothiazinan-3-one

C6H11NO3S — CID 89133537

IUPAC2-ethyl-1,1-dioxothiazinan-3-one
SMILESCCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-2-7-6(8)4-3-5-11(7,9)10/h2-5H2,1H3
InChIKeyLASJMGQYTAWDTM-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.04
Rot. Bonds1

About 2-ethyl-1,1-dioxothiazinan-3-one

2-ethyl-1,1-dioxothiazinan-3-one (PubChem CID 89133537) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-ethyl-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-ethyl-1,1-dioxothiazinan-3-one
PubChem CID89133537
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name2-ethyl-1,1-dioxothiazinan-3-one
SMILESCCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-2-7-6(8)4-3-5-11(7,9)10/h2-5H2,1H3
InChIKeyLASJMGQYTAWDTM-UHFFFAOYSA-N
XLogP-0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpiperidine-4-sulfonamide
CID 54593514
1-Acetylpiperidine-4-sulfonyl chloride
CID 61545574
1-(1,1-Dioxidothiomorpholino)butan-1-one
CID 58842887
1-(Methylsulfonyl)-2-piperidinone
CID 24974404
1-(1,1-Dioxothiazinan-2-yl)-2,2-difluoroethanone
CID 130993105
2-Ethylthiazinan-3-one
CID 20625972
1-Acetylpiperidine-3-sulfonamide
CID 54593303
2-Ethyl-1-oxothiazinan-3-one
CID 57685023
2-(2-Methylpropyl)-1,1-dioxothiazinan-3-one
CID 58799872
1-(1,1-Dioxidothiomorpholino)propan-1-one
CID 58970373
1,1-Dioxo-2-propan-2-ylthiazinan-3-one
CID 59696357
1-Pentylsulfonylpiperidin-2-one
CID 67830653

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-ethyl-1,1-dioxothiazinan-3-one (CID 89133537) is 2-ethyl-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-ethyl-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-ethyl-1,1-dioxothiazinan-3-one is CCN1C(=O)CCCS1(=O)=O.
What is the InChIKey of 2-ethyl-1,1-dioxothiazinan-3-one?
The InChIKey is LASJMGQYTAWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-7-6(8)4-3-5-11(7,9)10/h2-5H2,1H3.
What are the key properties of 2-ethyl-1,1-dioxothiazinan-3-one?
2-ethyl-1,1-dioxothiazinan-3-one has a molecular weight of 177.22 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 89133537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).