3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane

C14H20S3 — CID 121384558

IUPAC3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane
SMILESC1CC2SC3C(SC4C5CCCC5SC43)C2C1
InChIInChI=1S/C14H20S3/c1-3-7-9(5-1)15-13-11(7)17-12-8-4-2-6-10(8)16-14(12)13/h7-14H,1-6H2
InChIKeyBSKONXVGWDWJKD-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.04
Rot. Bonds

About 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane

3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane (PubChem CID 121384558) has the molecular formula C14H20S3 and a molecular weight of 284.52 g/mol. Its IUPAC name is 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane.

Molecular Properties

Compound Name3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane
PubChem CID121384558
Molecular FormulaC14H20S3
Molecular Weight284.52 g/mol
Exact Mass284.07
IUPAC Name3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane
SMILESC1CC2SC3C(SC4C5CCCC5SC43)C2C1
InChIInChI=1S/C14H20S3/c1-3-7-9(5-1)15-13-11(7)17-12-8-4-2-6-10(8)16-14(12)13/h7-14H,1-6H2
InChIKeyBSKONXVGWDWJKD-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane with MolForge

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

Launch Full Analysis

Related Compounds

7-Thiatricyclo[6.3.0.02,6]undecane
CID 58594501
7,14-Dithiatetracyclo[6.6.0.02,6.09,13]tetradecane
CID 121384557
2,9,16-Trithiapentacyclo[8.7.1.01,8.03,7.011,15]octadecane
CID 134185934
(1R,2R,6R)-7-thiatricyclo[6.3.0.02,6]undecane
CID 141825736
(1S,2S,6S,8S)-7-thiatricyclo[6.3.0.02,6]undecane
CID 131851241

Frequently Asked Questions

What is the IUPAC name of 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane?
The IUPAC name of 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane (CID 121384558) is 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane.
What is the SMILES notation for 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane?
The canonical SMILES for 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane is C1CC2SC3C(SC4C5CCCC5SC43)C2C1.
What is the InChIKey of 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane?
The InChIKey is BSKONXVGWDWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S3/c1-3-7-9(5-1)15-13-11(7)17-12-8-4-2-6-10(8)16-14(12)13/h7-14H,1-6H2.
What are the key properties of 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane?
3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane has a molecular weight of 284.52 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane is sourced from PubChem (CID 121384558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).