(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

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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).