2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine

C15H23NO2S — CID 64646828

IUPAC2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)C2CCCC2N)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)11-7-9-12(10-8-11)19(17,18)14-6-4-5-13(14)16/h7-10,13-14H,4-6,16H2,1-3H3
InChIKeyFKEIKTKTAJKWTJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine

2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine (PubChem CID 64646828) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine
PubChem CID64646828
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)C2CCCC2N)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)11-7-9-12(10-8-11)19(17,18)14-6-4-5-13(14)16/h7-10,13-14H,4-6,16H2,1-3H3
InChIKeyFKEIKTKTAJKWTJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine (CID 64646828) is 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine is CC(C)(C)c1ccc(S(=O)(=O)C2CCCC2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine?
The InChIKey is FKEIKTKTAJKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)11-7-9-12(10-8-11)19(17,18)14-6-4-5-13(14)16/h7-10,13-14H,4-6,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine?
2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64646828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).