1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide

C13H20N2O2S — CID 54885816

IUPAC1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c14-9-11-4-3-5-12(8-11)10-18(16,17)15-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,9-10,14H2
InChIKeyXTACDOAQESVDTH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.51
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide

1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide (PubChem CID 54885816) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
PubChem CID54885816
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c14-9-11-4-3-5-12(8-11)10-18(16,17)15-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,9-10,14H2
InChIKeyXTACDOAQESVDTH-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
3-(cyclohexylsulfamoylmethyl)benzenecarbothioamide
CID 60999163
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide
CID 21268484
1-[3-(aminomethyl)phenyl]-N-(1,3-dimethylpiperidin-4-yl)methanesulfonamide
CID 114503359
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
CID 43317757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide (CID 54885816) is 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide is NCc1cccc(CS(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide?
The InChIKey is XTACDOAQESVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-9-11-4-3-5-12(8-11)10-18(16,17)15-13-6-1-2-7-13/h3-5,8,13,15H,1-2,6-7,9-10,14H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide is sourced from PubChem (CID 54885816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).