3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

C15H23N3OS2 — CID 103505566

IUPAC3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(C)(C)C2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-15(2)6-7-18(8-15)14-12(20-3)10(16)11(21-14)13(19)17-9-4-5-9/h9H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyCNWIXEBLIIIMLH-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.18
Rot. Bonds4

About 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103505566) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103505566
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(C)(C)C2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-15(2)6-7-18(8-15)14-12(20-3)10(16)11(21-14)13(19)17-9-4-5-9/h9H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyCNWIXEBLIIIMLH-UHFFFAOYSA-N
XLogP3.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103419637
3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103421659
3-amino-N-ethyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103417310
3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103506559
3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418839
methyl 3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103505518
dimethyl 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarboxylate
CID 103505574
3-amino-5-(4-methoxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103508860
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336
methyl 3-amino-5-(4-hydroxy-4-methylazepan-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 107409250
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421986

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103505566) is 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CCC(C)(C)C2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is CNWIXEBLIIIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-15(2)6-7-18(8-15)14-12(20-3)10(16)11(21-14)13(19)17-9-4-5-9/h9H,4-8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103505566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).