(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone

C11H14INOS — CID 79036702

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C11H14INOS/c1-11(2)3-4-13(7-11)10(14)8-5-9(12)15-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyFNVGVKDGCDQXCM-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.22
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone

(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 79036702) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID79036702
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESCC1(C)CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C11H14INOS/c1-11(2)3-4-13(7-11)10(14)8-5-9(12)15-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyFNVGVKDGCDQXCM-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
(3,3-dimethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107032413
1-(5-iodothiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79685652
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121
3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone (CID 79036702) is (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone is CC1(C)CCN(C(=O)c2csc(I)c2)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is FNVGVKDGCDQXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS/c1-11(2)3-4-13(7-11)10(14)8-5-9(12)15-6-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone?
(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 335.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79036702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).