5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide

C13H20N2O3S2 — CID 115888736

IUPAC5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1CCC(C)N1C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-10-6-5-8(2)15(10)13(16)11-7-12(9(3)19-11)20(14,17)18/h7-8,10H,4-6H2,1-3H3,(H2,14,17,18)
InChIKeyYQDKSWQBXNQLSO-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.11
Rot. Bonds3

About 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide

5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide (PubChem CID 115888736) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
PubChem CID115888736
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1CCC(C)N1C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-10-6-5-8(2)15(10)13(16)11-7-12(9(3)19-11)20(14,17)18/h7-8,10H,4-6H2,1-3H3,(H2,14,17,18)
InChIKeyYQDKSWQBXNQLSO-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115612442
5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 124589177
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide (CID 115888736) is 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide is CCC1CCC(C)N1C(=O)c1cc(S(N)(=O)=O)c(C)s1.
What is the InChIKey of 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YQDKSWQBXNQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-10-6-5-8(2)15(10)13(16)11-7-12(9(3)19-11)20(14,17)18/h7-8,10H,4-6H2,1-3H3,(H2,14,17,18).
What are the key properties of 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115888736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).