(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol

C8H15NO4S — CID 6983471

IUPAC(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C8H15NO4S/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKeyHXFFTFHXFUEYPB-JGVFFNPUSA-N
MW221.28 g/mol
LogP-1.52
Rot. Bonds1

About (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol

(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol (PubChem CID 6983471) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
PubChem CID6983471
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C8H15NO4S/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKeyHXFFTFHXFUEYPB-JGVFFNPUSA-N
XLogP-1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
CID 60968587
4-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde
CID 99976976
(3S,4S)-4-(1,4-diazepan-1-yl)-1,1-dioxothiolan-3-ol
CID 126846760
1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 60666013
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
CID 66371342
4-(morpholin-4-ylamino)-1,1-dioxothiolan-3-ol
CID 83022353
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263
4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 4798798
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
CID 99975528
2-[4-(4-hydroxy-1,1-dioxothiolan-3-yl)piperazin-1-yl]propanenitrile
CID 63339027

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol (CID 6983471) is (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@@H](O)[C@@H](N2CCOCC2)C1.
What is the InChIKey of (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The InChIKey is HXFFTFHXFUEYPB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9/h7-8,10H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol has a molecular weight of 221.28 g/mol, XLogP of -1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 6983471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).