2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane

C12H24O4S2 — CID 71977091

IUPAC2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
SMILESCC(C)S(=O)(=O)CCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24O4S2/c1-11(2)18(15,16)9-8-17(13,14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeySGOUFSOVSCFXRP-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.80
Rot. Bonds6

About 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane

2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane (PubChem CID 71977091) has the molecular formula C12H24O4S2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane.

Molecular Properties

Compound Name2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
PubChem CID71977091
Molecular FormulaC12H24O4S2
Molecular Weight296.45 g/mol
Exact Mass296.11
IUPAC Name2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
SMILESCC(C)S(=O)(=O)CCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24O4S2/c1-11(2)18(15,16)9-8-17(13,14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeySGOUFSOVSCFXRP-UHFFFAOYSA-N
XLogP1.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane 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 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane?
The IUPAC name of 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane (CID 71977091) is 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane.
What is the SMILES notation for 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane?
The canonical SMILES for 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane is CC(C)S(=O)(=O)CCS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane?
The InChIKey is SGOUFSOVSCFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S2/c1-11(2)18(15,16)9-8-17(13,14)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane?
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane has a molecular weight of 296.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane is sourced from PubChem (CID 71977091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).