butylsulfonylcyclohexane

C10H20O2S — CID 13494868

IUPACbutylsulfonylcyclohexane
SMILESCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyWDSHAOMNFUUVNC-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.53
Rot. Bonds4

About butylsulfonylcyclohexane

butylsulfonylcyclohexane (PubChem CID 13494868) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is butylsulfonylcyclohexane.

Molecular Properties

Compound Namebutylsulfonylcyclohexane
PubChem CID13494868
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Namebutylsulfonylcyclohexane
SMILESCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyWDSHAOMNFUUVNC-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butylsulfonylcyclohexane 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 butylsulfonylcyclohexane?
The IUPAC name of butylsulfonylcyclohexane (CID 13494868) is butylsulfonylcyclohexane.
What is the SMILES notation for butylsulfonylcyclohexane?
The canonical SMILES for butylsulfonylcyclohexane is CCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of butylsulfonylcyclohexane?
The InChIKey is WDSHAOMNFUUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of butylsulfonylcyclohexane?
butylsulfonylcyclohexane has a molecular weight of 204.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfonylcyclohexane is sourced from PubChem (CID 13494868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).