[2-(cyclopentylsulfonylmethyl)phenyl]methanamine

C13H19NO2S — CID 64696628

IUPAC[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H19NO2S/c14-9-11-5-1-2-6-12(11)10-17(15,16)13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,14H2
InChIKeyBUDBUZICXQCPIT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.00
Rot. Bonds4

About [2-(cyclopentylsulfonylmethyl)phenyl]methanamine

[2-(cyclopentylsulfonylmethyl)phenyl]methanamine (PubChem CID 64696628) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-(cyclopentylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
PubChem CID64696628
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H19NO2S/c14-9-11-5-1-2-6-12(11)10-17(15,16)13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,14H2
InChIKeyBUDBUZICXQCPIT-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopentylsulfonylmethyl)phenyl]acetic acid
CID 113314460
N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
CID 64696603
1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
CID 43541147
1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
CID 43094907
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
5-bromo-2-(cyclopentylsulfonylmethyl)aniline
CID 114382140
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-(cyclopentylsulfonylmethyl)phenyl]methanamine (CID 64696628) is [2-(cyclopentylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(cyclopentylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(cyclopentylsulfonylmethyl)phenyl]methanamine is NCc1ccccc1CS(=O)(=O)C1CCCC1.
What is the InChIKey of [2-(cyclopentylsulfonylmethyl)phenyl]methanamine?
The InChIKey is BUDBUZICXQCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c14-9-11-5-1-2-6-12(11)10-17(15,16)13-7-3-4-8-13/h1-2,5-6,13H,3-4,7-10,14H2.
What are the key properties of [2-(cyclopentylsulfonylmethyl)phenyl]methanamine?
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64696628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).