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

C11H15IN2OS — CID 78949609

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C11H15IN2OS/c1-13(2)9-3-4-14(6-9)11(15)8-5-10(12)16-7-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyJAZWGVAHLDYJFU-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.13
Rot. Bonds2

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

[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 78949609) has the molecular formula C11H15IN2OS and a molecular weight of 350.23 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID78949609
Molecular FormulaC11H15IN2OS
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C11H15IN2OS/c1-13(2)9-3-4-14(6-9)11(15)8-5-10(12)16-7-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyJAZWGVAHLDYJFU-UHFFFAOYSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
3-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]prop-2-enoic acid
CID 79692653
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[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-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 78949609) is [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is CN(C)C1CCN(C(=O)c2csc(I)c2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is JAZWGVAHLDYJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS/c1-13(2)9-3-4-14(6-9)11(15)8-5-10(12)16-7-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 350.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 78949609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).