2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine

C10H22N2O2S — CID 61324957

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9(8-11)12-4-6-15(13,14)7-5-12/h9H,4-8,11H2,1-3H3
InChIKeySIMUXVHZBBDJGB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine (PubChem CID 61324957) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine
PubChem CID61324957
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9(8-11)12-4-6-15(13,14)7-5-12/h9H,4-8,11H2,1-3H3
InChIKeySIMUXVHZBBDJGB-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine (CID 61324957) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is SIMUXVHZBBDJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)9(8-11)12-4-6-15(13,14)7-5-12/h9H,4-8,11H2,1-3H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 61324957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).