[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine

C14H21NO3S — CID 64696203

IUPAC[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
SMILESNCc1cccc(OCCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C14H21NO3S/c15-11-12-4-3-5-13(10-12)18-8-9-19(16,17)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,15H2
InChIKeyDOZBOVDATAQTOV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.88
Rot. Bonds6

About [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine

[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine (PubChem CID 64696203) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
PubChem CID64696203
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
SMILESNCc1cccc(OCCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C14H21NO3S/c15-11-12-4-3-5-13(10-12)18-8-9-19(16,17)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,15H2
InChIKeyDOZBOVDATAQTOV-UHFFFAOYSA-N
XLogP1.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine 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-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
CID 64696416
[3-[3-(oxan-4-ylsulfonyl)propoxy]phenyl]methanamine
CID 64696420
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
[3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559129
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
2-[4-(2-cyclohexylsulfonylethoxy)phenyl]acetonitrile
CID 64691638
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine?
The IUPAC name of [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine (CID 64696203) is [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine?
The canonical SMILES for [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine is NCc1cccc(OCCS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine?
The InChIKey is DOZBOVDATAQTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c15-11-12-4-3-5-13(10-12)18-8-9-19(16,17)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,15H2.
What are the key properties of [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine?
[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine has a molecular weight of 283.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine is sourced from PubChem (CID 64696203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).