3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide

C15H25N3OS — CID 103506239

IUPAC3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(C(C)(C)C)C2)cc1N
InChIInChI=1S/C15H25N3OS/c1-5-17-14(19)13-11(16)8-12(20-13)18-7-6-10(9-18)15(2,3)4/h8,10H,5-7,9,16H2,1-4H3,(H,17,19)
InChIKeyRUMBGIFEYAQPDY-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide

3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide (PubChem CID 103506239) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
PubChem CID103506239
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(C(C)(C)C)C2)cc1N
InChIInChI=1S/C15H25N3OS/c1-5-17-14(19)13-11(16)8-12(20-13)18-7-6-10(9-18)15(2,3)4/h8,10H,5-7,9,16H2,1-4H3,(H,17,19)
InChIKeyRUMBGIFEYAQPDY-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421831
3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
CID 103524899
3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422884
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421975
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426292
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103509114
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide (CID 103506239) is 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(N2CCC(C(C)(C)C)C2)cc1N.
What is the InChIKey of 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide?
The InChIKey is RUMBGIFEYAQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-17-14(19)13-11(16)8-12(20-13)18-7-6-10(9-18)15(2,3)4/h8,10H,5-7,9,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide?
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103506239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).