[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

C11H14INO2S — CID 115746358

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(CCO)C1
InChIInChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-13)2-4-14/h5,7-8,14H,1-4,6H2
InChIKeySDNROLODWIXNHK-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.20
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 115746358) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID115746358
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(CCO)C1
InChIInChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-13)2-4-14/h5,7-8,14H,1-4,6H2
InChIKeySDNROLODWIXNHK-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80553930
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
(3-amino-4-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796726

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 115746358) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is SDNROLODWIXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-13)2-4-14/h5,7-8,14H,1-4,6H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 351.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 115746358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).