4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol

C8H16N2O4S — CID 83022353

IUPAC4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NN2CCOCC2)C1
InChIInChI=1S/C8H16N2O4S/c11-8-6-15(12,13)5-7(8)9-10-1-3-14-4-2-10/h7-9,11H,1-6H2
InChIKeyXNGLLKBFIUSLEZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-2.02
Rot. Bonds2

About 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol

4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol (PubChem CID 83022353) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol
PubChem CID83022353
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NN2CCOCC2)C1
InChIInChI=1S/C8H16N2O4S/c11-8-6-15(12,13)5-7(8)9-10-1-3-14-4-2-10/h7-9,11H,1-6H2
InChIKeyXNGLLKBFIUSLEZ-UHFFFAOYSA-N
XLogP-2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol 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

trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol
CID 131701473
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
CID 3831220
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
4-(1,4-dioxan-2-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 61023571
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
CID 99975528
4-(2,4-dibromo-5-methoxyanilino)-1,1-dioxothiolan-3-ol
CID 103413334
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 6354533
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol (CID 83022353) is 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NN2CCOCC2)C1.
What is the InChIKey of 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is XNGLLKBFIUSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c11-8-6-15(12,13)5-7(8)9-10-1-3-14-4-2-10/h7-9,11H,1-6H2.
What are the key properties of 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol?
4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 236.29 g/mol, XLogP of -2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 83022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).