3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide

C12H19N3O3S2 — CID 103509742

IUPAC3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N2CCC(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S2/c1-3-20(17,18)10-8(13)9(11(14)16)19-12(10)15-5-4-7(2)6-15/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyGUDWMPWXPIVRDE-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.07
Rot. Bonds4

About 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide

3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide (PubChem CID 103509742) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
PubChem CID103509742
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N2CCC(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S2/c1-3-20(17,18)10-8(13)9(11(14)16)19-12(10)15-5-4-7(2)6-15/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyGUDWMPWXPIVRDE-UHFFFAOYSA-N
XLogP1.07
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848
3-amino-N-ethyl-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103509700
1-[3-amino-5-(4-aminopiperidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103525607
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103418523
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103542462
1-[3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 106674970
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfonylthiophene-2-carboxamide
CID 103418327
ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103419510
ethyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525764
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
3-amino-4-ethylsulfonyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carbonitrile
CID 103421567

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide (CID 103509742) is 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide is CCS(=O)(=O)c1c(N2CCC(C)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The InChIKey is GUDWMPWXPIVRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-20(17,18)10-8(13)9(11(14)16)19-12(10)15-5-4-7(2)6-15/h7H,3-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).