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

C14H21N3OS — CID 103505577

IUPAC3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CCN(c2sc(C(N)=O)c(N)c2C2CC2)C1
InChIInChI=1S/C14H21N3OS/c1-14(2)5-6-17(7-14)13-9(8-3-4-8)10(15)11(19-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyOPJCOHLYXBISTJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.54
Rot. Bonds3

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

3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide (PubChem CID 103505577) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
PubChem CID103505577
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CCN(c2sc(C(N)=O)c(N)c2C2CC2)C1
InChIInChI=1S/C14H21N3OS/c1-14(2)5-6-17(7-14)13-9(8-3-4-8)10(15)11(19-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18)
InChIKeyOPJCOHLYXBISTJ-UHFFFAOYSA-N
XLogP2.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103506647
methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103421714
5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
3-amino-4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103509349
dimethyl 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarboxylate
CID 103505574
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
CID 103422771
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide (CID 103505577) is 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide is CC1(C)CCN(c2sc(C(N)=O)c(N)c2C2CC2)C1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide?
The InChIKey is OPJCOHLYXBISTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-14(2)5-6-17(7-14)13-9(8-3-4-8)10(15)11(19-13)12(16)18/h8H,3-7,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103505577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).