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

4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
CID 70601747
CID 70601747
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737

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).