4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride

C8H15ClNO4S- — CID 21179772

IUPAC4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(N2CCOCC2)C1.[Cl-]
InChIInChI=1S/C8H15NO4S.ClH/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9;/h7-8,10H,1-6H2;1H/p-1
InChIKeyRIFNJJIZKOZUBE-UHFFFAOYSA-M
MW256.73 g/mol
LogP-4.52
Rot. Bonds1

About 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride

4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride (PubChem CID 21179772) has the molecular formula C8H15ClNO4S- and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride.

Molecular Properties

Compound Name4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride
PubChem CID21179772
Molecular FormulaC8H15ClNO4S-
Molecular Weight256.73 g/mol
Exact Mass256.04
IUPAC Name4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(N2CCOCC2)C1.[Cl-]
InChIInChI=1S/C8H15NO4S.ClH/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9;/h7-8,10H,1-6H2;1H/p-1
InChIKeyRIFNJJIZKOZUBE-UHFFFAOYSA-M
XLogP-4.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 5-4.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride?
The IUPAC name of 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride (CID 21179772) is 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride.
What is the SMILES notation for 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride?
The canonical SMILES for 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride is O=S1(=O)CC(O)C(N2CCOCC2)C1.[Cl-].
What is the InChIKey of 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride?
The InChIKey is RIFNJJIZKOZUBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO4S.ClH/c10-8-6-14(11,12)5-7(8)9-1-3-13-4-2-9;/h7-8,10H,1-6H2;1H/p-1.
What are the key properties of 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride?
4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride has a molecular weight of 256.73 g/mol, XLogP of -4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1,1-dioxothiolan-3-ol chloride is sourced from PubChem (CID 21179772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).