5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide

C11H20N2O2S2 — CID 43520862

IUPAC5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O2S2/c1-3-4-9-13(2)17(14,15)11-6-5-10(16-11)7-8-12/h5-6H,3-4,7-9,12H2,1-2H3
InChIKeyUCZQHTKYBLUVSB-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.67
Rot. Bonds7

About 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide (PubChem CID 43520862) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
PubChem CID43520862
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O2S2/c1-3-4-9-13(2)17(14,15)11-6-5-10(16-11)7-8-12/h5-6H,3-4,7-9,12H2,1-2H3
InChIKeyUCZQHTKYBLUVSB-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide (CID 43520862) is 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide?
The InChIKey is UCZQHTKYBLUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-4-9-13(2)17(14,15)11-6-5-10(16-11)7-8-12/h5-6H,3-4,7-9,12H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43520862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).