1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide

C14H22N2O2S — CID 54885869

IUPAC1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c15-9-13-6-3-7-14(8-13)11-19(17,18)16-10-12-4-1-2-5-12/h3,6-8,12,16H,1-2,4-5,9-11,15H2
InChIKeyXJIFTIYWZRKHGY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.75
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide (PubChem CID 54885869) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
PubChem CID54885869
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c15-9-13-6-3-7-14(8-13)11-19(17,18)16-10-12-4-1-2-5-12/h3,6-8,12,16H,1-2,4-5,9-11,15H2
InChIKeyXJIFTIYWZRKHGY-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
CID 43371562
1-[3-(aminomethyl)phenyl]-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 106089007
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
3-(cyclohexylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61000252
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
CID 63713652
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide (CID 54885869) is 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)NCC2CCCC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide?
The InChIKey is XJIFTIYWZRKHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-9-13-6-3-7-14(8-13)11-19(17,18)16-10-12-4-1-2-5-12/h3,6-8,12,16H,1-2,4-5,9-11,15H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.75, 6 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-(cyclopentylmethyl)methanesulfonamide is sourced from PubChem (CID 54885869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).