N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide

C10H16N2O2S — CID 61351029

IUPACN-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-12(8-7-11)15(13,14)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3
InChIKeyIKAILIUKYJEKKL-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.41
Rot. Bonds5

About N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide

N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 61351029) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID61351029
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-12(8-7-11)15(13,14)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3
InChIKeyIKAILIUKYJEKKL-UHFFFAOYSA-N
XLogP0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
CID 107206464
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide (CID 61351029) is N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide is CN(CCN)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is IKAILIUKYJEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(8-7-11)15(13,14)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide?
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 61351029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).