N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

C14H20N4O2S — CID 106085203

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-15-10-12-3-2-4-13(9-12)11-21(19,20)18-6-5-14-16-7-8-17-14/h2-4,7-9,15,18H,5-6,10-11H2,1H3,(H,16,17)
InChIKeyHGHBXZWTXUNMCH-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.79
Rot. Bonds8

About N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106085203) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID106085203
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-15-10-12-3-2-4-13(9-12)11-21(19,20)18-6-5-14-16-7-8-17-14/h2-4,7-9,15,18H,5-6,10-11H2,1H3,(H,16,17)
InChIKeyHGHBXZWTXUNMCH-UHFFFAOYSA-N
XLogP0.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106085186
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-(methylaminomethyl)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 106013300
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106085262
2-bromo-N-(1H-imidazol-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069259
1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (CID 106085203) is N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is CNCc1cccc(CS(=O)(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is HGHBXZWTXUNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-15-10-12-3-2-4-13(9-12)11-21(19,20)18-6-5-14-16-7-8-17-14/h2-4,7-9,15,18H,5-6,10-11H2,1H3,(H,16,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106085203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).