N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide

C10H16N2O2S — CID 119990191

IUPACN-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
SMILESCC(N)c1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(11)10-5-3-9(4-6-10)7-12-15(2,13)14/h3-6,8,12H,7,11H2,1-2H3
InChIKeyAFDANCOGEOVRGM-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.76
Rot. Bonds4

About N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide

N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide (PubChem CID 119990191) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
PubChem CID119990191
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
SMILESCC(N)c1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(11)10-5-3-9(4-6-10)7-12-15(2,13)14/h3-6,8,12H,7,11H2,1-2H3
InChIKeyAFDANCOGEOVRGM-UHFFFAOYSA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylphenyl)ethylamine
CID 577386
N-benzylmethanesulfonamide
CID 235490
N-Phenethylmethanesulfonamide
CID 118569
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
1-(4-Isopropylphenyl)ethanamine
CID 3728039
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
1-[(Dimethylsulfamoylamino)methyl]-4-methylbenzene
CID 670059
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953
N-(3-phenylpropyl)methanesulfonamide
CID 1744854
N-(2-(4-fluorophenyl)ethyl)methanesulfonamide
CID 1530178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide (CID 119990191) is N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide is CC(N)c1ccc(CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is AFDANCOGEOVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(11)10-5-3-9(4-6-10)7-12-15(2,13)14/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide?
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 119990191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).