(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C10H11Cl2NO2S — CID 86817257

IUPAC(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCCC1CO
InChIInChI=1S/C10H11Cl2NO2S/c11-8-4-7(9(12)16-8)10(15)13-3-1-2-6(13)5-14/h4,6,14H,1-3,5H2
InChIKeyINTPYOOPVFYWPR-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.65
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 86817257) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID86817257
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCCC1CO
InChIInChI=1S/C10H11Cl2NO2S/c11-8-4-7(9(12)16-8)10(15)13-3-1-2-6(13)5-14/h4,6,14H,1-3,5H2
InChIKeyINTPYOOPVFYWPR-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103804265
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857559
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107963451
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 126785983
(2,5-Dichlorothiophen-3-yl)-[3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone
CID 71846986
(2-(Hydroxymethyl)pyrrolidin-1-yl)(thiophen-3-yl)methanone
CID 61410733
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 66262221
(2,5-Dichlorothiophen-3-yl)-[4-(2-hydroxycyclopentyl)piperazin-1-yl]methanone
CID 72139998
2,5-dichloro-N-ethyl-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 78823145
2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
CID 78856775
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 79028994
[2-(Hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693229

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 86817257) is (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCCC1CO.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is INTPYOOPVFYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-8-4-7(9(12)16-8)10(15)13-3-1-2-6(13)5-14/h4,6,14H,1-3,5H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 280.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86817257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).