3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide

C13H21N3O3S2 — CID 103419467

IUPAC3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C)C2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H21N3O3S2/c1-8-5-4-6-16(7-8)13-11(21(3,18)19)9(14)10(20-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyDCEVPAQHCULDBE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide

3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103419467) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103419467
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C)C2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H21N3O3S2/c1-8-5-4-6-16(7-8)13-11(21(3,18)19)9(14)10(20-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyDCEVPAQHCULDBE-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-ethyl-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103509700
3-amino-5-(3-methoxypyrrolidin-1-yl)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103542458
3-amino-N-methyl-4-methylsulfonyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421762
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-propan-2-yloxythiophene-2-carboxamide
CID 103419553
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103418523
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570
ethyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525764
1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
CID 103420656
methyl 3-amino-4-methylsulfonyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxylate
CID 103507508
3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509742
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
methyl 3-amino-5-(4-aminopiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide (CID 103419467) is 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCCC(C)C2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is DCEVPAQHCULDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-8-5-4-6-16(7-8)13-11(21(3,18)19)9(14)10(20-13)12(17)15-2/h8H,4-7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide?
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103419467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).