1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C14H21NO2S — CID 114798441

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCC(CCO)C2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-7-13(11(2)18-10)14(17)9-15-5-3-12(8-15)4-6-16/h7,12,16H,3-6,8-9H2,1-2H3
InChIKeyZBFRYECKXOOAMJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 114798441) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID114798441
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCC(CCO)C2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-7-13(11(2)18-10)14(17)9-15-5-3-12(8-15)4-6-16/h7,12,16H,3-6,8-9H2,1-2H3
InChIKeyZBFRYECKXOOAMJ-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170132
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone
CID 112747206
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-(4,4-dimethylazepan-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 65282532
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626432
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 115647989

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 114798441) is 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is Cc1cc(C(=O)CN2CCC(CCO)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZBFRYECKXOOAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-13(11(2)18-10)14(17)9-15-5-3-12(8-15)4-6-16/h7,12,16H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 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-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 114798441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).