N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine

C15H23NO2S — CID 79862613

IUPACN,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-11-7-5-6-8-12(11)19(17,18)13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyGDFUGWRTOSIXHJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds3

About N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine

N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine (PubChem CID 79862613) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine
PubChem CID79862613
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-11-7-5-6-8-12(11)19(17,18)13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyGDFUGWRTOSIXHJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine (CID 79862613) is N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine is CNC1C(S(=O)(=O)c2ccccc2C)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The InChIKey is GDFUGWRTOSIXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-7-5-6-8-12(11)19(17,18)13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine?
N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 79862613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).