2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine

C15H20N2O4S3 — CID 130358253

IUPAC2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine
SMILESCCNCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-2-17-9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8,17H,2,9-11,16H2,1H3
InChIKeyYAPCQJOMLHRJLJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.42
Rot. Bonds8

About 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine

2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine (PubChem CID 130358253) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine
PubChem CID130358253
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC Name2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine
SMILESCCNCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-2-17-9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8,17H,2,9-11,16H2,1H3
InChIKeyYAPCQJOMLHRJLJ-UHFFFAOYSA-N
XLogP1.42
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
US10807974, Example 14
CID 130344852
US10807974, Example 15
CID 130344869
US10807974, Example 9
CID 130344870
3-[4-[5-(Aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpropan-1-ol;hydrochloride
CID 130345033
[5-[4-(2-Pyrrolidin-1-ylethylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345068
US10807974, Example 5
CID 130358172
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
2-[4-[5-(Aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethanol;hydrochloride
CID 141720473
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
4-[3-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265160

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine?
The IUPAC name of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine (CID 130358253) is 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine.
What is the SMILES notation for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine?
The canonical SMILES for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine is CCNCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine?
The InChIKey is YAPCQJOMLHRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-2-17-9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8,17H,2,9-11,16H2,1H3.
What are the key properties of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine?
2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine has a molecular weight of 388.54 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N-ethylethanamine is sourced from PubChem (CID 130358253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).