3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 62055705

IUPAC3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(CNC(C)c2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-6-7-13(19-10)9-16-11(2)12-4-3-5-14(8-12)20(15,17)18/h3-8,11,16H,9H2,1-2H3,(H2,15,17,18)
InChIKeyMEMMREAIAHUUQA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide

3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 62055705) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID62055705
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(CNC(C)c2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-6-7-13(19-10)9-16-11(2)12-4-3-5-14(8-12)20(15,17)18/h3-8,11,16H,9H2,1-2H3,(H2,15,17,18)
InChIKeyMEMMREAIAHUUQA-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 60697901
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057681
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
CID 84600935
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide (CID 62055705) is 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide is Cc1ccc(CNC(C)c2cccc(S(N)(=O)=O)c2)s1.
What is the InChIKey of 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is MEMMREAIAHUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-6-7-13(19-10)9-16-11(2)12-4-3-5-14(8-12)20(15,17)18/h3-8,11,16H,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62055705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).