2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide

C9H17N3O2S2 — CID 106334703

IUPAC2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1sccc1N
InChIInChI=1S/C9H17N3O2S2/c1-2-12-16(13,14)6-4-11-7-9-8(10)3-5-15-9/h3,5,11-12H,2,4,6-7,10H2,1H3
InChIKeyISRPFMTVKWEVOW-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.36
Rot. Bonds7

About 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide

2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide (PubChem CID 106334703) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
PubChem CID106334703
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1sccc1N
InChIInChI=1S/C9H17N3O2S2/c1-2-12-16(13,14)6-4-11-7-9-8(10)3-5-15-9/h3,5,11-12H,2,4,6-7,10H2,1H3
InChIKeyISRPFMTVKWEVOW-UHFFFAOYSA-N
XLogP0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
N-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]ethanesulfonamide
CID 86793085
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
2-butylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 106512473
2-[(3-phenylbutylamino)methyl]thiophen-3-amine
CID 66385402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide (CID 106334703) is 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNCc1sccc1N.
What is the InChIKey of 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide?
The InChIKey is ISRPFMTVKWEVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-2-12-16(13,14)6-4-11-7-9-8(10)3-5-15-9/h3,5,11-12H,2,4,6-7,10H2,1H3.
What are the key properties of 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide?
2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).