10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide

C10H16O3S — CID 13183373

IUPAC10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCC1(C)C2CCC13CS(=O)(=O)OC3C2
InChIInChI=1S/C10H16O3S/c1-9(2)7-3-4-10(9)6-14(11,12)13-8(10)5-7/h7-8H,3-6H2,1-2H3
InChIKeyWPANITOANUCSAR-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.54
Rot. Bonds

About 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide

10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide (PubChem CID 13183373) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide.

Molecular Properties

Compound Name10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide
PubChem CID13183373
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCC1(C)C2CCC13CS(=O)(=O)OC3C2
InChIInChI=1S/C10H16O3S/c1-9(2)7-3-4-10(9)6-14(11,12)13-8(10)5-7/h7-8H,3-6H2,1-2H3
InChIKeyWPANITOANUCSAR-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The IUPAC name of 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide (CID 13183373) is 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide.
What is the SMILES notation for 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The canonical SMILES for 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide is CC1(C)C2CCC13CS(=O)(=O)OC3C2.
What is the InChIKey of 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The InChIKey is WPANITOANUCSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-9(2)7-3-4-10(9)6-14(11,12)13-8(10)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide?
10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide has a molecular weight of 216.30 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide is sourced from PubChem (CID 13183373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).