3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide

C8H16N2O4S — CID 106170603

IUPAC3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O4S/c9-8(12)7(11)5-10-6-1-3-15(13,14)4-2-6/h6-7,10-11H,1-5H2,(H2,9,12)
InChIKeyIMWXYRMJMAIAFJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-2.00
Rot. Bonds4

About 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide

3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106170603) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
PubChem CID106170603
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O4S/c9-8(12)7(11)5-10-6-1-3-15(13,14)4-2-6/h6-7,10-11H,1-5H2,(H2,9,12)
InChIKeyIMWXYRMJMAIAFJ-UHFFFAOYSA-N
XLogP-2.00
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothian-4-yl)amino]-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

Related Compounds

2-amino-3-[(1,1-dioxothian-4-yl)amino]propanoic acid
CID 64583635
2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238530
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333
1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 82283753
3-[[2-(cyclopropylamino)acetyl]amino]-2-hydroxypropanamide
CID 106175640
2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238543
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
2-[(1,1-dioxothian-4-yl)amino]propanamide
CID 43545283
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
3-(cyclobutylamino)-2-(1,1-dioxothian-4-yl)propanoic acid
CID 117239504
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
CID 106171661
methyl 2-bromo-3-[(1,1-dioxothiolan-3-yl)amino]propanoate
CID 103231379

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide (CID 106170603) is 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is IMWXYRMJMAIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-8(12)7(11)5-10-6-1-3-15(13,14)4-2-6/h6-7,10-11H,1-5H2,(H2,9,12).
What are the key properties of 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide?
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 236.29 g/mol, XLogP of -2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).