3-(2-propylsulfonylphenoxy)cyclopentan-1-amine

C14H21NO3S — CID 79465726

IUPAC3-(2-propylsulfonylphenoxy)cyclopentan-1-amine
SMILESCCCS(=O)(=O)c1ccccc1OC1CCC(N)C1
InChIInChI=1S/C14H21NO3S/c1-2-9-19(16,17)14-6-4-3-5-13(14)18-12-8-7-11(15)10-12/h3-6,11-12H,2,7-10,15H2,1H3
InChIKeyMKIBAVHKZCBDEA-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.13
Rot. Bonds5

About 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine

3-(2-propylsulfonylphenoxy)cyclopentan-1-amine (PubChem CID 79465726) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-propylsulfonylphenoxy)cyclopentan-1-amine
PubChem CID79465726
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(2-propylsulfonylphenoxy)cyclopentan-1-amine
SMILESCCCS(=O)(=O)c1ccccc1OC1CCC(N)C1
InChIInChI=1S/C14H21NO3S/c1-2-9-19(16,17)14-6-4-3-5-13(14)18-12-8-7-11(15)10-12/h3-6,11-12H,2,7-10,15H2,1H3
InChIKeyMKIBAVHKZCBDEA-UHFFFAOYSA-N
XLogP2.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine?
The IUPAC name of 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine (CID 79465726) is 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine is CCCS(=O)(=O)c1ccccc1OC1CCC(N)C1.
What is the InChIKey of 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine?
The InChIKey is MKIBAVHKZCBDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-9-19(16,17)14-6-4-3-5-13(14)18-12-8-7-11(15)10-12/h3-6,11-12H,2,7-10,15H2,1H3.
What are the key properties of 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine?
3-(2-propylsulfonylphenoxy)cyclopentan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylsulfonylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 79465726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).