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

C7H16N2O2S — CID 43581307

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeySIYPXPNGVQSWRH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 43581307) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID43581307
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeySIYPXPNGVQSWRH-UHFFFAOYSA-N
XLogP-0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-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 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 43581307) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is CC(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is SIYPXPNGVQSWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.94, 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)propan-1-amine is sourced from PubChem (CID 43581307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).