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

C8H15NO4S — CID 1380500

IUPAC(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](N2CCOCC2)[C@@H](O)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+/m1/s1
InChIKeyHXFFTFHXFUEYPB-SFYZADRCSA-N
MW221.28 g/mol
LogP-1.52
Rot. Bonds1

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

(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol (PubChem CID 1380500) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
PubChem CID1380500
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](N2CCOCC2)[C@@H](O)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+/m1/s1
InChIKeyHXFFTFHXFUEYPB-SFYZADRCSA-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

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Related Compounds

4-(Tetrahydro-1,1-dioxido-3-thienyl)morpholine
CID 2831165
Thiophene-3-ol, tetrahydro-4-(1-piperidinyl)-, 1,1-dioxide
CID 2851717
3-Hydroxy-4-morpholinotetrahydrothiophene 1,1-dioxide
CID 2831182
4-{[3-(4-Morpholinyl)propyl]amino}tetrahydro-3-thiophenol 1,1-dioxide
CID 2909116
(3S*,4S*)-4-[methyl(2-methyl-2-morpholin-4-ylpropyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 56744172
4-[Di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol
CID 21179778
3-(2,6-Diethylmorpholin-4-yl)thiolane 1,1-dioxide
CID 22770174
3-(2,6-Dimethylmorpholin-4-yl)thiolane 1,1-dioxide
CID 22770176
(2R,3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 154680463
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 155059559
(3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 167099749
4-Ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 167265633

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol (CID 1380500) is (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
The InChIKey is HXFFTFHXFUEYPB-SFYZADRCSA-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+/m1/s1.
What are the key properties of (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol?
(3R,4S)-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 (3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 1380500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).