1,1-dioxothiazinan-4-amine

C4H10N2O2S — CID 155034412

IUPAC1,1-dioxothiazinan-4-amine
SMILESNC1CCS(=O)(=O)NC1
InChIInChI=1S/C4H10N2O2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3,5H2
InChIKeyMETLZVQSPMRPDH-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.36
Rot. Bonds

About 1,1-dioxothiazinan-4-amine

1,1-dioxothiazinan-4-amine (PubChem CID 155034412) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1,1-dioxothiazinan-4-amine.

Molecular Properties

Compound Name1,1-dioxothiazinan-4-amine
PubChem CID155034412
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name1,1-dioxothiazinan-4-amine
SMILESNC1CCS(=O)(=O)NC1
InChIInChI=1S/C4H10N2O2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3,5H2
InChIKeyMETLZVQSPMRPDH-UHFFFAOYSA-N
XLogP-1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiazinan-4-amine?
The IUPAC name of 1,1-dioxothiazinan-4-amine (CID 155034412) is 1,1-dioxothiazinan-4-amine.
What is the SMILES notation for 1,1-dioxothiazinan-4-amine?
The canonical SMILES for 1,1-dioxothiazinan-4-amine is NC1CCS(=O)(=O)NC1.
What is the InChIKey of 1,1-dioxothiazinan-4-amine?
The InChIKey is METLZVQSPMRPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3,5H2.
What are the key properties of 1,1-dioxothiazinan-4-amine?
1,1-dioxothiazinan-4-amine has a molecular weight of 150.20 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiazinan-4-amine is sourced from PubChem (CID 155034412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).