[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide

C15H23NO3S — CID 65003339

IUPAC[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCc1cccc(C)c1OCC1(CS(N)(=O)=O)CCCC1
InChIInChI=1S/C15H23NO3S/c1-12-6-5-7-13(2)14(12)19-10-15(8-3-4-9-15)11-20(16,17)18/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyDRKBPAFIULRZCA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.53
Rot. Bonds5

About [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65003339) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65003339
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCc1cccc(C)c1OCC1(CS(N)(=O)=O)CCCC1
InChIInChI=1S/C15H23NO3S/c1-12-6-5-7-13(2)14(12)19-10-15(8-3-4-9-15)11-20(16,17)18/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyDRKBPAFIULRZCA-UHFFFAOYSA-N
XLogP2.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide 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

[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[4-[(2,6-dimethylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004262
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
CID 10777425
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65007096
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65003339) is [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide is Cc1cccc(C)c1OCC1(CS(N)(=O)=O)CCCC1.
What is the InChIKey of [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is DRKBPAFIULRZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-6-5-7-13(2)14(12)19-10-15(8-3-4-9-15)11-20(16,17)18/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65003339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).