5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine

C15H25NO3S — CID 62486291

IUPAC5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO3S/c1-3-10-16-11-5-4-6-12-19-14-8-7-9-15(13-14)20(2,17)18/h7-9,13,16H,3-6,10-12H2,1-2H3
InChIKeyIAVNLRVTMWRFMN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.64
Rot. Bonds10

About 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine

5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine (PubChem CID 62486291) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
PubChem CID62486291
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO3S/c1-3-10-16-11-5-4-6-12-19-14-8-7-9-15(13-14)20(2,17)18/h7-9,13,16H,3-6,10-12H2,1-2H3
InChIKeyIAVNLRVTMWRFMN-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.64
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

N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-1-amine
CID 62583062
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
N-[2-(3-methylsulfonylphenoxy)ethyl]pentan-2-amine
CID 62583058
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
3-octadecoxybenzenesulfonamide
CID 142668832

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine (CID 62486291) is 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine?
The InChIKey is IAVNLRVTMWRFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-10-16-11-5-4-6-12-19-14-8-7-9-15(13-14)20(2,17)18/h7-9,13,16H,3-6,10-12H2,1-2H3.
What are the key properties of 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine?
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62486291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).