1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

C16H24N2OS — CID 63170132

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(N3CCCC3)C2)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-12-9-15(13(2)20-12)16(19)11-17-8-5-14(10-17)18-6-3-4-7-18/h9,14H,3-8,10-11H2,1-2H3
InChIKeyBOWMDDFITUDJQS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.72
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 63170132) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID63170132
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(N3CCCC3)C2)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-12-9-15(13(2)20-12)16(19)11-17-8-5-14(10-17)18-6-3-4-7-18/h9,14H,3-8,10-11H2,1-2H3
InChIKeyBOWMDDFITUDJQS-UHFFFAOYSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 115560586
1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798441
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone
CID 112747206
1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170090
2-(4,4-dimethylazepan-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 65282532
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 134020740
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (CID 63170132) is 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is Cc1cc(C(=O)CN2CCC(N3CCCC3)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BOWMDDFITUDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-9-15(13(2)20-12)16(19)11-17-8-5-14(10-17)18-6-3-4-7-18/h9,14H,3-8,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 292.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63170132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).