3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide

C13H21N3O3S2 — CID 103419875

IUPAC3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H21N3O3S2/c1-15(2)12(17)10-9(14)11(21(3,18)19)13(20-10)16-7-5-4-6-8-16/h4-8,14H2,1-3H3
InChIKeyAGWVSWIJLLPOAT-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide

3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 103419875) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID103419875
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H21N3O3S2/c1-15(2)12(17)10-9(14)11(21(3,18)19)13(20-10)16-7-5-4-6-8-16/h4-8,14H2,1-3H3
InChIKeyAGWVSWIJLLPOAT-UHFFFAOYSA-N
XLogP1.43
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
CID 103420656
1-(3-amino-4-methylsulfonyl-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419876
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848
3-amino-N-methyl-4-methylsulfonyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421762
methyl 3-amino-5-(4-aminopiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525627
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103418523
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfonylthiophene-2-carboxamide
CID 103418327
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide
CID 103524953
3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
CID 103525005

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide (CID 103419875) is 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N2CCCCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is AGWVSWIJLLPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-15(2)12(17)10-9(14)11(21(3,18)19)13(20-10)16-7-5-4-6-8-16/h4-8,14H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide?
3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103419875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).