1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide

C13H20N2O2S — CID 54884458

IUPAC1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C13H20N2O2S/c1-15(9-11-6-7-11)18(16,17)10-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3
InChIKeyROARXSQBNBDJDP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.32
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide (PubChem CID 54884458) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
PubChem CID54884458
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C13H20N2O2S/c1-15(9-11-6-7-11)18(16,17)10-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3
InChIKeyROARXSQBNBDJDP-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 61435991
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
CID 43541147
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62886268
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide (CID 54884458) is 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide is CN(CC1CC1)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide?
The InChIKey is ROARXSQBNBDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(9-11-6-7-11)18(16,17)10-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 54884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).