3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

C7H16N2OS — CID 24728622

IUPAC3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESNCCCN1CCS(=O)CC1
InChIInChI=1S/C7H16N2OS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-8H2
InChIKeyJDEQEZYEHBLSNM-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.60
Rot. Bonds3

About 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 24728622) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID24728622
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESNCCCN1CCS(=O)CC1
InChIInChI=1S/C7H16N2OS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-8H2
InChIKeyJDEQEZYEHBLSNM-UHFFFAOYSA-N
XLogP-0.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-oxo-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 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (CID 24728622) is 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is NCCCN1CCS(=O)CC1.
What is the InChIKey of 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is JDEQEZYEHBLSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-8H2.
What are the key properties of 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 176.28 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 24728622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).