1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide

C15H20N2O2S2 — CID 106056569

IUPAC1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NC(C)c2ccsc2)c1
InChIInChI=1S/C15H20N2O2S2/c1-12(15-6-7-20-10-15)17-21(18,19)11-14-5-3-4-13(8-14)9-16-2/h3-8,10,12,16-17H,9,11H2,1-2H3
InChIKeyLULNAUUXEIPSMF-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.65
Rot. Bonds7

About 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide

1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 106056569) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
PubChem CID106056569
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NC(C)c2ccsc2)c1
InChIInChI=1S/C15H20N2O2S2/c1-12(15-6-7-20-10-15)17-21(18,19)11-14-5-3-4-13(8-14)9-16-2/h3-8,10,12,16-17H,9,11H2,1-2H3
InChIKeyLULNAUUXEIPSMF-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
CID 106053780
N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
CID 75382887
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide (CID 106056569) is 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide is CNCc1cccc(CS(=O)(=O)NC(C)c2ccsc2)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is LULNAUUXEIPSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-12(15-6-7-20-10-15)17-21(18,19)11-14-5-3-4-13(8-14)9-16-2/h3-8,10,12,16-17H,9,11H2,1-2H3.
What are the key properties of 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide?
1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 106056569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).