2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine

C15H23NO2S — CID 79581814

IUPAC2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
SMILESCc1ccccc1CS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C15H23NO2S/c1-12-5-2-3-6-14(12)11-19(17,18)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3
InChIKeyWJUVJDSTIVEDHF-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine

2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine (PubChem CID 79581814) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
PubChem CID79581814
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
SMILESCc1ccccc1CS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C15H23NO2S/c1-12-5-2-3-6-14(12)11-19(17,18)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3
InChIKeyWJUVJDSTIVEDHF-UHFFFAOYSA-N
XLogP2.43
TPSA60.16 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103290168
2-(2-butylsulfonylethyl)cyclopentan-1-amine
CID 79581425
2-methyl-4-[(2-methylphenyl)methylsulfonyl]butan-2-ol
CID 111799647
2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
CID 79581110
2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581118
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778
3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
CID 81197445
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
CID 170100233
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine (CID 79581814) is 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine is Cc1ccccc1CS(=O)(=O)CCC1CCCC1N.
What is the InChIKey of 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine?
The InChIKey is WJUVJDSTIVEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-5-2-3-6-14(12)11-19(17,18)10-9-13-7-4-8-15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3.
What are the key properties of 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine?
2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).