3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 81398945

IUPAC3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
SMILESCC(N[C@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N2O2S2/c1-10(16-11(2)14-7-4-8-19-14)12-5-3-6-13(9-12)20(15,17)18/h3-11,16H,1-2H3,(H2,15,17,18)/t10?,11-/m1/s1
InChIKeyVPBXQSHRXZCYQS-RRKGBCIJSA-N
MW310.44 g/mol
LogP2.81
Rot. Bonds5

About 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide

3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide (PubChem CID 81398945) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
PubChem CID81398945
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
SMILESCC(N[C@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N2O2S2/c1-10(16-11(2)14-7-4-8-19-14)12-5-3-6-13(9-12)20(15,17)18/h3-11,16H,1-2H3,(H2,15,17,18)/t10?,11-/m1/s1
InChIKeyVPBXQSHRXZCYQS-RRKGBCIJSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide (CID 81398945) is 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide is CC(N[C@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is VPBXQSHRXZCYQS-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(16-11(2)14-7-4-8-19-14)12-5-3-6-13(9-12)20(15,17)18/h3-11,16H,1-2H3,(H2,15,17,18)/t10?,11-/m1/s1.
What are the key properties of 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide?
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 81398945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).