(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide

C10H17NO4S — CID 92857204

IUPAC(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide
SMILESCC1=C(C)[C@H](N2CCOCC2)CS(=O)(=O)O1
InChIInChI=1S/C10H17NO4S/c1-8-9(2)15-16(12,13)7-10(8)11-3-5-14-6-4-11/h10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyVUISNAZBZKLQAD-SNVBAGLBSA-N
MW247.32 g/mol
LogP0.34
Rot. Bonds1

About (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide

(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide (PubChem CID 92857204) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide
PubChem CID92857204
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide
SMILESCC1=C(C)[C@H](N2CCOCC2)CS(=O)(=O)O1
InChIInChI=1S/C10H17NO4S/c1-8-9(2)15-16(12,13)7-10(8)11-3-5-14-6-4-11/h10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyVUISNAZBZKLQAD-SNVBAGLBSA-N
XLogP0.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide?
The IUPAC name of (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide (CID 92857204) is (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide.
What is the SMILES notation for (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide?
The canonical SMILES for (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide is CC1=C(C)[C@H](N2CCOCC2)CS(=O)(=O)O1.
What is the InChIKey of (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide?
The InChIKey is VUISNAZBZKLQAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-8-9(2)15-16(12,13)7-10(8)11-3-5-14-6-4-11/h10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide?
(4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide has a molecular weight of 247.32 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,6-dimethyl-4-morpholin-4-yl-3,4-dihydrooxathiine 2,2-dioxide is sourced from PubChem (CID 92857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).