3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

C16H25N3OS — CID 103506105

IUPAC3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCCC1CCN(c2sc(C(=O)N(C)C)c(N)c2C2CC2)C1
InChIInChI=1S/C16H25N3OS/c1-4-10-7-8-19(9-10)16-12(11-5-6-11)13(17)14(21-16)15(20)18(2)3/h10-11H,4-9,17H2,1-3H3
InChIKeyZPAJFTDCQNAQKH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.15
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103506105) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103506105
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCCC1CCN(c2sc(C(=O)N(C)C)c(N)c2C2CC2)C1
InChIInChI=1S/C16H25N3OS/c1-4-10-7-8-19(9-10)16-12(11-5-6-11)13(17)14(21-16)15(20)18(2)3/h10-11H,4-9,17H2,1-3H3
InChIKeyZPAJFTDCQNAQKH-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
CID 103506478
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809
1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103421603

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (CID 103506105) is 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is CCC1CCN(c2sc(C(=O)N(C)C)c(N)c2C2CC2)C1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is ZPAJFTDCQNAQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-10-7-8-19(9-10)16-12(11-5-6-11)13(17)14(21-16)15(20)18(2)3/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103506105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).