2-methyl-1,1-dioxothiazinan-3-one

C5H9NO3S — CID 89187504

IUPAC2-methyl-1,1-dioxothiazinan-3-one
SMILESCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C5H9NO3S/c1-6-5(7)3-2-4-10(6,8)9/h2-4H2,1H3
InChIKeyZUWIHOWSKRTATF-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.43
Rot. Bonds

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

2-methyl-1,1-dioxothiazinan-3-one (PubChem CID 89187504) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-methyl-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-methyl-1,1-dioxothiazinan-3-one
PubChem CID89187504
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-methyl-1,1-dioxothiazinan-3-one
SMILESCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C5H9NO3S/c1-6-5(7)3-2-4-10(6,8)9/h2-4H2,1H3
InChIKeyZUWIHOWSKRTATF-UHFFFAOYSA-N
XLogP-0.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-methyl-1,1-dioxothiazinan-3-one (CID 89187504) is 2-methyl-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-methyl-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-methyl-1,1-dioxothiazinan-3-one is CN1C(=O)CCCS1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxothiazinan-3-one?
The InChIKey is ZUWIHOWSKRTATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-6-5(7)3-2-4-10(6,8)9/h2-4H2,1H3.
What are the key properties of 2-methyl-1,1-dioxothiazinan-3-one?
2-methyl-1,1-dioxothiazinan-3-one has a molecular weight of 163.20 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 89187504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).