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

C14H23N3OS2 — CID 103506683

IUPAC3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CC(C)C(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3OS2/c1-8-6-17(7-9(8)2)14-12(19-5)10(15)11(20-14)13(18)16(3)4/h8-9H,6-7,15H2,1-5H3
InChIKeyFUFBPLVKTYDWDK-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.85
Rot. Bonds3

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

3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103506683) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103506683
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CC(C)C(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3OS2/c1-8-6-17(7-9(8)2)14-12(19-5)10(15)11(20-14)13(18)16(3)4/h8-9H,6-7,15H2,1-5H3
InChIKeyFUFBPLVKTYDWDK-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide (CID 103506683) is 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CC(C)C(C)C2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is FUFBPLVKTYDWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-8-6-17(7-9(8)2)14-12(19-5)10(15)11(20-14)13(18)16(3)4/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103506683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).