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

C11H22N2O4S — CID 2909116

IUPAC4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCCN2CCOCC2)C1
InChIInChI=1S/C11H22N2O4S/c14-11-9-18(15,16)8-10(11)12-2-1-3-13-4-6-17-7-5-13/h10-12,14H,1-9H2
InChIKeyMRUSFGXEQJNQMH-UHFFFAOYSA-N
MW278.37 g/mol
LogP-1.54
Rot. Bonds5

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

4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol (PubChem CID 2909116) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol
PubChem CID2909116
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCCN2CCOCC2)C1
InChIInChI=1S/C11H22N2O4S/c14-11-9-18(15,16)8-10(11)12-2-1-3-13-4-6-17-7-5-13/h10-12,14H,1-9H2
InChIKeyMRUSFGXEQJNQMH-UHFFFAOYSA-N
XLogP-1.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-morpholin-4-ylpropylamino)-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

4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
CID 3131601
3-{[3-(Morpholin-4-yl)propyl]amino}-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247920
3-Hydroxy-4-(piperazin-1-yl)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 47002857
3-Hydroxy-4-morpholinotetrahydrothiophene 1,1-dioxide
CID 2831182
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
4-(3-Methoxypropylamino)-1,1-dioxothiolan-3-ol
CID 3131602
(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(3-morpholin-4-yl-propyl)-amine
CID 3144943
4-(2-Methoxyethylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 3144944
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol chloride
CID 21179791
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
CID 126460539
(3R,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 1380499

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol (CID 2909116) is 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCCCN2CCOCC2)C1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is MRUSFGXEQJNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c14-11-9-18(15,16)8-10(11)12-2-1-3-13-4-6-17-7-5-13/h10-12,14H,1-9H2.
What are the key properties of 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol?
4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 278.37 g/mol, XLogP of -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2909116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).