(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone

C11H12INOS — CID 130765889

IUPAC(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2sccc2I)CC1
InChIInChI=1S/C11H12INOS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7H,1-3,5-6H2
InChIKeySCLXUCVVHMDEKD-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.14
Rot. Bonds1

About (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone

(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 130765889) has the molecular formula C11H12INOS and a molecular weight of 333.19 g/mol. Its IUPAC name is (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
PubChem CID130765889
Molecular FormulaC11H12INOS
Molecular Weight333.19 g/mol
Exact Mass332.97
IUPAC Name(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2sccc2I)CC1
InChIInChI=1S/C11H12INOS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7H,1-3,5-6H2
InChIKeySCLXUCVVHMDEKD-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
(2,2-dimethylpyrrolidin-1-yl)-(3-iodothiophen-2-yl)methanone
CID 130576271
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 131160226
N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
CID 56575769
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
(1-hydroxypyridin-1-ium-4-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 18715061
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone
CID 71032593
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426

Frequently Asked Questions

What is the IUPAC name of (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone (CID 130765889) is (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)c2sccc2I)CC1.
What is the InChIKey of (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is SCLXUCVVHMDEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INOS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7H,1-3,5-6H2.
What are the key properties of (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 333.19 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 130765889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).