4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine

C10H22N2O2S — CID 65247199

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,9-11)3-4-12-5-7-15(13,14)8-6-12/h3-9,11H2,1-2H3
InChIKeyKBIMLTDFVTVHLI-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds4

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65247199) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
PubChem CID65247199
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,9-11)3-4-12-5-7-15(13,14)8-6-12/h3-9,11H2,1-2H3
InChIKeyKBIMLTDFVTVHLI-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine (CID 65247199) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is KBIMLTDFVTVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,9-11)3-4-12-5-7-15(13,14)8-6-12/h3-9,11H2,1-2H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65247199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).