5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide

C11H20N2O3S2 — CID 106078844

IUPAC5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-16-8(2)7-13-18(14,15)11-5-10(6-12)17-9(11)3/h5,8,13H,4,6-7,12H2,1-3H3
InChIKeyAYEDSCIYFBGETO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.22
Rot. Bonds7

About 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106078844) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
PubChem CID106078844
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-16-8(2)7-13-18(14,15)11-5-10(6-12)17-9(11)3/h5,8,13H,4,6-7,12H2,1-3H3
InChIKeyAYEDSCIYFBGETO-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylpropyl)thiophene-3-sulfonamide
CID 106015870
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
CID 113258209
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
CID 106092360
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106084683
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide (CID 106078844) is 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide is CCOC(C)CNS(=O)(=O)c1cc(CN)sc1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is AYEDSCIYFBGETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-16-8(2)7-13-18(14,15)11-5-10(6-12)17-9(11)3/h5,8,13H,4,6-7,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106078844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).