N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H19N3O2S — CID 62371217

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1sc(NC(=O)CN2CCC(CO)C2)c(C#N)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-10(2)20-14(12(9)5-15)16-13(19)7-17-4-3-11(6-17)8-18/h11,18H,3-4,6-8H2,1-2H3,(H,16,19)
InChIKeyDAYWSELYWREPBT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.49
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62371217) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62371217
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1sc(NC(=O)CN2CCC(CO)C2)c(C#N)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-10(2)20-14(12(9)5-15)16-13(19)7-17-4-3-11(6-17)8-18/h11,18H,3-4,6-8H2,1-2H3,(H,16,19)
InChIKeyDAYWSELYWREPBT-UHFFFAOYSA-N
XLogP1.49
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 66291710
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-[(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-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 103576566
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-iodoacetamide
CID 64787572
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78823360
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
CID 62674565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62371217) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is Cc1sc(NC(=O)CN2CCC(CO)C2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DAYWSELYWREPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-10(2)20-14(12(9)5-15)16-13(19)7-17-4-3-11(6-17)8-18/h11,18H,3-4,6-8H2,1-2H3,(H,16,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62371217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).