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

C11H16N2O2S — CID 60978052

IUPAC1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H16N2O2S/c12-7-9-2-1-3-10(6-9)8-16(14,15)13-11-4-5-11/h1-3,6,11,13H,4-5,7-8,12H2
InChIKeyRZINMLBMVGDTTQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.73
Rot. Bonds5

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

1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide (PubChem CID 60978052) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
PubChem CID60978052
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H16N2O2S/c12-7-9-2-1-3-10(6-9)8-16(14,15)13-11-4-5-11/h1-3,6,11,13H,4-5,7-8,12H2
InChIKeyRZINMLBMVGDTTQ-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-(1,3-dimethylpiperidin-4-yl)methanesulfonamide
CID 114503359
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
3-(cyclohexylsulfamoylmethyl)benzenecarbothioamide
CID 60999163
1-[3-(aminomethyl)phenyl]-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 106089007
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide (CID 60978052) is 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide is NCc1cccc(CS(=O)(=O)NC2CC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is RZINMLBMVGDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-7-9-2-1-3-10(6-9)8-16(14,15)13-11-4-5-11/h1-3,6,11,13H,4-5,7-8,12H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.73, 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-cyclopropylmethanesulfonamide is sourced from PubChem (CID 60978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).