3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide

C14H24N4OS — CID 103426292

IUPAC3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC2CCCN2CC)cc1N
InChIInChI=1S/C14H24N4OS/c1-3-16-14(19)13-11(15)8-12(20-13)17-9-10-6-5-7-18(10)4-2/h8,10,17H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyVVHHSIBNOYWONH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds6

About 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide

3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide (PubChem CID 103426292) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
PubChem CID103426292
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC2CCCN2CC)cc1N
InChIInChI=1S/C14H24N4OS/c1-3-16-14(19)13-11(15)8-12(20-13)17-9-10-6-5-7-18(10)4-2/h8,10,17H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyVVHHSIBNOYWONH-UHFFFAOYSA-N
XLogP1.98
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide (CID 103426292) is 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide is CCNC(=O)c1sc(NCC2CCCN2CC)cc1N.
What is the InChIKey of 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The InChIKey is VVHHSIBNOYWONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-16-14(19)13-11(15)8-12(20-13)17-9-10-6-5-7-18(10)4-2/h8,10,17H,3-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103426292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).