5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide

C11H20N2O3S2 — CID 113499673

IUPAC5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O3S2/c1-9(14)6-8-13(2)18(15,16)11-4-3-10(17-11)5-7-12/h3-4,9,14H,5-8,12H2,1-2H3
InChIKeyGXAHXFNBMXAAPB-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.64
Rot. Bonds7

About 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide (PubChem CID 113499673) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
PubChem CID113499673
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O3S2/c1-9(14)6-8-13(2)18(15,16)11-4-3-10(17-11)5-7-12/h3-4,9,14H,5-8,12H2,1-2H3
InChIKeyGXAHXFNBMXAAPB-UHFFFAOYSA-N
XLogP0.64
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 61447206
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62004378
5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431
5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 107736812
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide (CID 113499673) is 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide is CC(O)CCN(C)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is GXAHXFNBMXAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9(14)6-8-13(2)18(15,16)11-4-3-10(17-11)5-7-12/h3-4,9,14H,5-8,12H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113499673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).