undecylsulfonylcyclohexane

C17H34O2S — CID 151596280

IUPACundecylsulfonylcyclohexane
SMILESCCCCCCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H34O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h17H,2-16H2,1H3
InChIKeyQJNJLVBYCBOGSS-UHFFFAOYSA-N
MW302.52 g/mol
LogP5.26
Rot. Bonds11

About undecylsulfonylcyclohexane

undecylsulfonylcyclohexane (PubChem CID 151596280) has the molecular formula C17H34O2S and a molecular weight of 302.52 g/mol. Its IUPAC name is undecylsulfonylcyclohexane.

Molecular Properties

Compound Nameundecylsulfonylcyclohexane
PubChem CID151596280
Molecular FormulaC17H34O2S
Molecular Weight302.52 g/mol
Exact Mass302.23
IUPAC Nameundecylsulfonylcyclohexane
SMILESCCCCCCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H34O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h17H,2-16H2,1H3
InChIKeyQJNJLVBYCBOGSS-UHFFFAOYSA-N
XLogP5.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze undecylsulfonylcyclohexane 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

heptylsulfonylcyclooctane
CID 134525047
pentylsulfonylcyclopropane
CID 165043967
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
4-bromobutylsulfonylcyclohexane
CID 60872498
N-(2-cyclopentylsulfonylethyl)butan-1-amine
CID 106512849
5-cyclohexylsulfonylpentanoic acid
CID 60872104
diazoniosulfonylcyclohexane;1-methylsulfonyldecane
CID 161477553
6-cyclopentylsulfonylhexan-3-one
CID 106808577
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
2-pentylsulfonylcyclohexan-1-one
CID 107764455
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012

Frequently Asked Questions

What is the IUPAC name of undecylsulfonylcyclohexane?
The IUPAC name of undecylsulfonylcyclohexane (CID 151596280) is undecylsulfonylcyclohexane.
What is the SMILES notation for undecylsulfonylcyclohexane?
The canonical SMILES for undecylsulfonylcyclohexane is CCCCCCCCCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of undecylsulfonylcyclohexane?
The InChIKey is QJNJLVBYCBOGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h17H,2-16H2,1H3.
What are the key properties of undecylsulfonylcyclohexane?
undecylsulfonylcyclohexane has a molecular weight of 302.52 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecylsulfonylcyclohexane is sourced from PubChem (CID 151596280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).