3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide

C14H22N4O2S — CID 103509806

IUPAC3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCC(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H22N4O2S/c1-8-5-6-18(7-8)14-9(12(19)16-2)10(15)11(21-14)13(20)17(3)4/h8H,5-7,15H2,1-4H3,(H,16,19)
InChIKeyOSDSRQAGNMJQEO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide

3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide (PubChem CID 103509806) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
PubChem CID103509806
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCC(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H22N4O2S/c1-8-5-6-18(7-8)14-9(12(19)16-2)10(15)11(21-14)13(20)17(3)4/h8H,5-7,15H2,1-4H3,(H,16,19)
InChIKeyOSDSRQAGNMJQEO-UHFFFAOYSA-N
XLogP1.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103506286
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 106675016
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421986
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103418540
3-amino-5-(3-hydroxypyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421577
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide (CID 103509806) is 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide is CNC(=O)c1c(N2CCC(C)C2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The InChIKey is OSDSRQAGNMJQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8-5-6-18(7-8)14-9(12(19)16-2)10(15)11(21-14)13(20)17(3)4/h8H,5-7,15H2,1-4H3,(H,16,19).
What are the key properties of 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).