3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide

C12H19N3O3S2 — CID 103419848

IUPAC3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N2CCCCC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S2/c1-2-20(17,18)10-8(13)9(11(14)16)19-12(10)15-6-4-3-5-7-15/h2-7,13H2,1H3,(H2,14,16)
InChIKeyZMFDKPYVCOGREI-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide

3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 103419848) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID103419848
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(N2CCCCC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S2/c1-2-20(17,18)10-8(13)9(11(14)16)19-12(10)15-6-4-3-5-7-15/h2-7,13H2,1H3,(H2,14,16)
InChIKeyZMFDKPYVCOGREI-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509742
1-[3-amino-5-(4-aminopiperidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103525607
1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
CID 103420656
3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419875
1-[3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 106674970
1-(3-amino-4-methylsulfonyl-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419876
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfonylthiophene-2-carboxamide
CID 103418327
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide (CID 103419848) is 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide is CCS(=O)(=O)c1c(N2CCCCC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is ZMFDKPYVCOGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-2-20(17,18)10-8(13)9(11(14)16)19-12(10)15-6-4-3-5-7-15/h2-7,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.21, 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-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103419848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).