sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C10H18OS — CID 174955464

IUPACsulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.[30SH2]
InChIInChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2
InChIKeyQFASPCGPLVFDCI-ZQSXMSGHSA-N
MW184.24 g/mol
LogP2.51
Rot. Bonds

About sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 174955464) has the molecular formula C10H18OS and a molecular weight of 184.24 g/mol. Its IUPAC name is sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Namesulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID174955464
Molecular FormulaC10H18OS
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namesulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.[30SH2]
InChIInChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2
InChIKeyQFASPCGPLVFDCI-ZQSXMSGHSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 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 sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 174955464) is sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(C)C.[30SH2].
What is the InChIKey of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is QFASPCGPLVFDCI-ZQSXMSGHSA-N. The full InChI is InChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2.
What are the key properties of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 184.24 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 174955464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).