4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid

C8H16N2O4S — CID 64692955

IUPAC4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O4S/c9-2-1-7(8(11)12)10-3-5-15(13,14)6-4-10/h7H,1-6,9H2,(H,11,12)
InChIKeyGFEUBZNSNVVNSV-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.48
Rot. Bonds4

About 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid

4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid (PubChem CID 64692955) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
PubChem CID64692955
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O4S/c9-2-1-7(8(11)12)10-3-5-15(13,14)6-4-10/h7H,1-6,9H2,(H,11,12)
InChIKeyGFEUBZNSNVVNSV-UHFFFAOYSA-N
XLogP-1.48
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid 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 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The IUPAC name of 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid (CID 64692955) is 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid is NCCC(C(=O)O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The InChIKey is GFEUBZNSNVVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-2-1-7(8(11)12)10-3-5-15(13,14)6-4-10/h7H,1-6,9H2,(H,11,12).
What are the key properties of 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid has a molecular weight of 236.29 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid is sourced from PubChem (CID 64692955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).