6-(cyclopentylmethoxy)hexane-1-sulfonamide

C12H25NO3S — CID 66322939

IUPAC6-(cyclopentylmethoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCC1CCCC1
InChIInChI=1S/C12H25NO3S/c13-17(14,15)10-6-2-1-5-9-16-11-12-7-3-4-8-12/h12H,1-11H2,(H2,13,14,15)
InChIKeyTYUCGFFKWVNKIP-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.04
Rot. Bonds9

About 6-(cyclopentylmethoxy)hexane-1-sulfonamide

6-(cyclopentylmethoxy)hexane-1-sulfonamide (PubChem CID 66322939) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)hexane-1-sulfonamide
PubChem CID66322939
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name6-(cyclopentylmethoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCC1CCCC1
InChIInChI=1S/C12H25NO3S/c13-17(14,15)10-6-2-1-5-9-16-11-12-7-3-4-8-12/h12H,1-11H2,(H2,13,14,15)
InChIKeyTYUCGFFKWVNKIP-UHFFFAOYSA-N
XLogP2.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopentylmethoxy)hexane-1-sulfonamide 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

3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
CID 112698309
3-(cyclopentylmethoxy)propan-1-amine
CID 62344405
9-propoxynonane-1-sulfonamide
CID 105343921
9-(cyclohexylmethoxy)nonane-1-thiol
CID 105344448
5-cyclopropylpentane-1-sulfonamide
CID 67223678
4-bromobutoxymethylcyclopentane
CID 66323692
dodecane-1,12-disulfonamide
CID 57288842
oct-7-enoxymethylcyclohexane
CID 53248071
5-(oxetan-3-yloxy)pentane-1-sulfonamide
CID 102608527
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
CID 112590353
6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)hexane-1-sulfonamide?
The IUPAC name of 6-(cyclopentylmethoxy)hexane-1-sulfonamide (CID 66322939) is 6-(cyclopentylmethoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(cyclopentylmethoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(cyclopentylmethoxy)hexane-1-sulfonamide is NS(=O)(=O)CCCCCCOCC1CCCC1.
What is the InChIKey of 6-(cyclopentylmethoxy)hexane-1-sulfonamide?
The InChIKey is TYUCGFFKWVNKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c13-17(14,15)10-6-2-1-5-9-16-11-12-7-3-4-8-12/h12H,1-11H2,(H2,13,14,15).
What are the key properties of 6-(cyclopentylmethoxy)hexane-1-sulfonamide?
6-(cyclopentylmethoxy)hexane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)hexane-1-sulfonamide is sourced from PubChem (CID 66322939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).