3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine

C8H16N2O2S — CID 61349773

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C8H16N2O2S/c9-7-5-8(6-7)10-1-3-13(11,12)4-2-10/h7-8H,1-6,9H2
InChIKeyKOXRYOAMCHESHP-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.79
Rot. Bonds1

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine (PubChem CID 61349773) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
PubChem CID61349773
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C8H16N2O2S/c9-7-5-8(6-7)10-1-3-13(11,12)4-2-10/h7-8H,1-6,9H2
InChIKeyKOXRYOAMCHESHP-UHFFFAOYSA-N
XLogP-0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine (CID 61349773) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine is NC1CC(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
The InChIKey is KOXRYOAMCHESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c9-7-5-8(6-7)10-1-3-13(11,12)4-2-10/h7-8H,1-6,9H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine has a molecular weight of 204.29 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 61349773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).