2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide

C9H14OS — CID 10103589

IUPAC2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
SMILESO=S1C2CC3CC(C2)CC1C3
InChIInChI=1S/C9H14OS/c10-11-8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5H2
InChIKeyDSVJWGWYGUTZBG-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.70
Rot. Bonds

About 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide

2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide (PubChem CID 10103589) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide.

Molecular Properties

Compound Name2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
PubChem CID10103589
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
SMILESO=S1C2CC3CC(C2)CC1C3
InChIInChI=1S/C9H14OS/c10-11-8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5H2
InChIKeyDSVJWGWYGUTZBG-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide?
The IUPAC name of 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide (CID 10103589) is 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide.
What is the SMILES notation for 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide?
The canonical SMILES for 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide is O=S1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide?
The InChIKey is DSVJWGWYGUTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c10-11-8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5H2.
What are the key properties of 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide?
2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide has a molecular weight of 170.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide is sourced from PubChem (CID 10103589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).