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

C8H18N2O2S — CID 43581206

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h8H,2-7,9H2,1H3
InChIKeyLMGWDIWDZGDPCJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.69
Rot. Bonds3

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

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (PubChem CID 43581206) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
PubChem CID43581206
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h8H,2-7,9H2,1H3
InChIKeyLMGWDIWDZGDPCJ-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (CID 43581206) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine is CC(CN)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The InChIKey is LMGWDIWDZGDPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h8H,2-7,9H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of -0.69, 3 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)-2-methylpropan-1-amine is sourced from PubChem (CID 43581206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).