N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine

C15H23NO2S — CID 64646432

IUPACN-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCNC2CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)12-4-8-14(9-5-12)19(17,18)11-10-16-13-6-7-13/h4-5,8-9,13,16H,6-7,10-11H2,1-3H3
InChIKeySPLIFNYCPYBZKR-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine

N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine (PubChem CID 64646432) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
PubChem CID64646432
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCNC2CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)12-4-8-14(9-5-12)19(17,18)11-10-16-13-6-7-13/h4-5,8-9,13,16H,6-7,10-11H2,1-3H3
InChIKeySPLIFNYCPYBZKR-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine (CID 64646432) is N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine is CC(C)(C)c1ccc(S(=O)(=O)CCNC2CC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine?
The InChIKey is SPLIFNYCPYBZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)12-4-8-14(9-5-12)19(17,18)11-10-16-13-6-7-13/h4-5,8-9,13,16H,6-7,10-11H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine?
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine has a molecular weight of 281.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine is sourced from PubChem (CID 64646432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).