4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide

C13H17N3O2S2 — CID 66386535

IUPAC4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCc1sccc1N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(16-8-13-12(14)6-7-19-13)10-2-4-11(5-3-10)20(15,17)18/h2-7,9,16H,8,14H2,1H3,(H2,15,17,18)
InChIKeyOCBLDHMPFODYSP-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.83
Rot. Bonds5

About 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide

4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 66386535) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID66386535
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCc1sccc1N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(16-8-13-12(14)6-7-19-13)10-2-4-11(5-3-10)20(15,17)18/h2-7,9,16H,8,14H2,1H3,(H2,15,17,18)
InChIKeyOCBLDHMPFODYSP-UHFFFAOYSA-N
XLogP1.83
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102832081
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide (CID 66386535) is 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide is CC(NCc1sccc1N)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is OCBLDHMPFODYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(16-8-13-12(14)6-7-19-13)10-2-4-11(5-3-10)20(15,17)18/h2-7,9,16H,8,14H2,1H3,(H2,15,17,18).
What are the key properties of 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 66386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).