1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid

C14H20N2O3S — CID 137366935

IUPAC1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid
SMILESCC(CN1CCS(=O)CC1c1ccccc1)NC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-11(15-14(17)18)9-16-7-8-20(19)10-13(16)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,18)
InChIKeyUCAPJSBOIJOHFD-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.45
Rot. Bonds4

About 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid

1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid (PubChem CID 137366935) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid
PubChem CID137366935
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid
SMILESCC(CN1CCS(=O)CC1c1ccccc1)NC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-11(15-14(17)18)9-16-7-8-20(19)10-13(16)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,18)
InChIKeyUCAPJSBOIJOHFD-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic 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 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid?
The IUPAC name of 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid (CID 137366935) is 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid is CC(CN1CCS(=O)CC1c1ccccc1)NC(=O)O.
What is the InChIKey of 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid?
The InChIKey is UCAPJSBOIJOHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(15-14(17)18)9-16-7-8-20(19)10-13(16)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,18).
What are the key properties of 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid?
1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid has a molecular weight of 296.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid is sourced from PubChem (CID 137366935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).