[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine

C15H23NO3S — CID 64696416

IUPAC[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H23NO3S/c16-12-13-5-3-6-14(11-13)19-9-4-10-20(17,18)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,16H2
InChIKeyVCEHPTAJESXCGW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.27
Rot. Bonds7

About [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine

[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine (PubChem CID 64696416) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
PubChem CID64696416
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H23NO3S/c16-12-13-5-3-6-14(11-13)19-9-4-10-20(17,18)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,16H2
InChIKeyVCEHPTAJESXCGW-UHFFFAOYSA-N
XLogP2.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
CID 64696203
[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-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[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
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine?
The IUPAC name of [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine (CID 64696416) is [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine is NCc1cccc(OCCCS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine?
The InChIKey is VCEHPTAJESXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c16-12-13-5-3-6-14(11-13)19-9-4-10-20(17,18)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,16H2.
What are the key properties of [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine?
[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine is sourced from PubChem (CID 64696416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).