3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide

C15H20N2O2S2 — CID 43783025

IUPAC3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(Cc1cccs1)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(9-14-6-4-8-20-14)17-12(2)13-5-3-7-15(10-13)21(16,18)19/h3-8,10-12,17H,9H2,1-2H3,(H2,16,18,19)
InChIKeyRUDOBQPMVYMZNM-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.68
Rot. Bonds6

About 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide

3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 43783025) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID43783025
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(Cc1cccs1)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(9-14-6-4-8-20-14)17-12(2)13-5-3-7-15(10-13)21(16,18)19/h3-8,10-12,17H,9H2,1-2H3,(H2,16,18,19)
InChIKeyRUDOBQPMVYMZNM-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
CID 43692638
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43791798

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide (CID 43783025) is 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide is CC(Cc1cccs1)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is RUDOBQPMVYMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(9-14-6-4-8-20-14)17-12(2)13-5-3-7-15(10-13)21(16,18)19/h3-8,10-12,17H,9H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43783025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).