[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide

C16H25NO3S — CID 65003158

IUPAC[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCC(C)c1cccc(OCC2(CS(N)(=O)=O)CCCC2)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)14-6-5-7-15(10-14)20-11-16(8-3-4-9-16)12-21(17,18)19/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyASNJVCUSMVGKFO-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.04
Rot. Bonds6

About [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65003158) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65003158
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCC(C)c1cccc(OCC2(CS(N)(=O)=O)CCCC2)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)14-6-5-7-15(10-14)20-11-16(8-3-4-9-16)12-21(17,18)19/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyASNJVCUSMVGKFO-UHFFFAOYSA-N
XLogP3.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3-propan-2-ylphenoxy)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-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(3-nitrophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002601
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 59174612
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65003158) is [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide is CC(C)c1cccc(OCC2(CS(N)(=O)=O)CCCC2)c1.
What is the InChIKey of [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is ASNJVCUSMVGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(2)14-6-5-7-15(10-14)20-11-16(8-3-4-9-16)12-21(17,18)19/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65003158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).