1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide

C14H18N2O2S2 — CID 106049833

IUPAC1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C14H18N2O2S2/c15-9-13-2-1-3-14(8-13)11-20(17,18)16-6-4-12-5-7-19-10-12/h1-3,5,7-8,10,16H,4,6,9,11,15H2
InChIKeyWPSUGSNJKIIEJM-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.87
Rot. Bonds7

About 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 106049833) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID106049833
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C14H18N2O2S2/c15-9-13-2-1-3-14(8-13)11-20(17,18)16-6-4-12-5-7-19-10-12/h1-3,5,7-8,10,16H,4,6,9,11,15H2
InChIKeyWPSUGSNJKIIEJM-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
4-(2-thiophen-3-ylethylsulfamoylmethyl)benzenecarbothioamide
CID 61477660
2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 79589134
1-[3-(aminomethyl)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106423664
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
2-[[3-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211237
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 106050116
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide (CID 106049833) is 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)NCCc2ccsc2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is WPSUGSNJKIIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c15-9-13-2-1-3-14(8-13)11-20(17,18)16-6-4-12-5-7-19-10-12/h1-3,5,7-8,10,16H,4,6,9,11,15H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 106049833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).