3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide

C13H21N3O3S2 — CID 103418523

IUPAC3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
SMILESCC1CC(C)CN(c2sc(C(N)=O)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C13H21N3O3S2/c1-7-4-8(2)6-16(5-7)13-11(21(3,18)19)9(14)10(20-13)12(15)17/h7-8H,4-6,14H2,1-3H3,(H2,15,17)
InChIKeySVQOFNHWQDQAGN-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103418523) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103418523
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
SMILESCC1CC(C)CN(c2sc(C(N)=O)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C13H21N3O3S2/c1-7-4-8(2)6-16(5-7)13-11(21(3,18)19)9(14)10(20-13)12(15)17/h7-8H,4-6,14H2,1-3H3,(H2,15,17)
InChIKeySVQOFNHWQDQAGN-UHFFFAOYSA-N
XLogP1.32
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103542462
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfonylthiophene-2-carboxamide
CID 103418327
3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509742
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
3-amino-N-ethyl-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103509700
methyl 3-amino-4-methylsulfonyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxylate
CID 103507508
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
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103426574
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103418501
methyl 3-amino-5-(4-aminopiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525627
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide (CID 103418523) is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide is CC1CC(C)CN(c2sc(C(N)=O)c(N)c2S(C)(=O)=O)C1.
What is the InChIKey of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is SVQOFNHWQDQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-7-4-8(2)6-16(5-7)13-11(21(3,18)19)9(14)10(20-13)12(15)17/h7-8H,4-6,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103418523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).