2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C14H20N4OS — CID 103576566

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CC(C)C(N)C2)c(C#N)c1C
InChIInChI=1S/C14H20N4OS/c1-8-5-18(6-12(8)16)7-13(19)17-14-11(4-15)9(2)10(3)20-14/h8,12H,5-7,16H2,1-3H3,(H,17,19)
InChIKeyTVQBIRHTJXELFY-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 103576566) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID103576566
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CC(C)C(N)C2)c(C#N)c1C
InChIInChI=1S/C14H20N4OS/c1-8-5-18(6-12(8)16)7-13(19)17-14-11(4-15)9(2)10(3)20-14/h8,12H,5-7,16H2,1-3H3,(H,17,19)
InChIKeyTVQBIRHTJXELFY-UHFFFAOYSA-N
XLogP1.45
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410985
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872199
2-(4-aminopiperidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 43556496
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 66291710
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371217
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CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094403
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 103576566) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN2CC(C)C(N)C2)c(C#N)c1C.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is TVQBIRHTJXELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-5-18(6-12(8)16)7-13(19)17-14-11(4-15)9(2)10(3)20-14/h8,12H,5-7,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 292.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 103576566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).