(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

C15H23NOS — CID 86877318

IUPAC(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(C)C2)cc1CC
InChIInChI=1S/C15H23NOS/c1-4-6-13-12(5-2)9-14(18-13)15(17)16-8-7-11(3)10-16/h9,11H,4-8,10H2,1-3H3
InChIKeyXHHIQETWPLLNCP-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.74
Rot. Bonds4

About (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 86877318) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID86877318
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(C)C2)cc1CC
InChIInChI=1S/C15H23NOS/c1-4-6-13-12(5-2)9-14(18-13)15(17)16-8-7-11(3)10-16/h9,11H,4-8,10H2,1-3H3
InChIKeyXHHIQETWPLLNCP-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 106671501
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578288
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 120814485
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 51109948
(3R,4R)-4-cyclopropyl-1-(4-ethyl-5-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978774
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777539
6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175108
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 86877318) is (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is CCCc1sc(C(=O)N2CCC(C)C2)cc1CC.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is XHHIQETWPLLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-6-13-12(5-2)9-14(18-13)15(17)16-8-7-11(3)10-16/h9,11H,4-8,10H2,1-3H3.
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 265.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86877318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).