N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C11H20N2O3S2 — CID 106054219

IUPACN-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C11H20N2O3S2/c1-4-16-7-9(2)13-18(14,15)11-5-10(6-12-3)17-8-11/h5,8-9,12-13H,4,6-7H2,1-3H3
InChIKeyFMDNRJJAYKWLBN-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.17
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106054219) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106054219
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C11H20N2O3S2/c1-4-16-7-9(2)13-18(14,15)11-5-10(6-12-3)17-8-11/h5,8-9,12-13H,4,6-7H2,1-3H3
InChIKeyFMDNRJJAYKWLBN-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
CID 106054288
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
CID 106056951
N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106010442
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283763
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106054219) is N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CCOCC(C)NS(=O)(=O)c1csc(CNC)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FMDNRJJAYKWLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-16-7-9(2)13-18(14,15)11-5-10(6-12-3)17-8-11/h5,8-9,12-13H,4,6-7H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106054219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).