3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide

C7H14N2O4S — CID 106172340

IUPAC3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
SMILESNC(=O)C(O)CN1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11)
InChIKeyCZJXKLDAYUNHDV-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.74
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide

3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide (PubChem CID 106172340) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
PubChem CID106172340
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
SMILESNC(=O)C(O)CN1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11)
InChIKeyCZJXKLDAYUNHDV-UHFFFAOYSA-N
XLogP-1.74
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide 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-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide (CID 106172340) is 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide is NC(=O)C(O)CN1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The InChIKey is CZJXKLDAYUNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide has a molecular weight of 222.27 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 106172340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).