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

C14H21NO3S — CID 106671501

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CC(O)C(O)C2)cc1CC
InChIInChI=1S/C14H21NO3S/c1-3-5-12-9(4-2)6-13(19-12)14(18)15-7-10(16)11(17)8-15/h6,10-11,16-17H,3-5,7-8H2,1-2H3
InChIKeyKJUIOCUDVIEALK-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.44
Rot. Bonds4

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

(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (PubChem CID 106671501) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
PubChem CID106671501
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CC(O)C(O)C2)cc1CC
InChIInChI=1S/C14H21NO3S/c1-3-5-12-9(4-2)6-13(19-12)14(18)15-7-10(16)11(17)8-15/h6,10-11,16-17H,3-5,7-8H2,1-2H3
InChIKeyKJUIOCUDVIEALK-UHFFFAOYSA-N
XLogP1.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 106671858
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
(3R,4R)-4-cyclopropyl-1-(4-ethyl-5-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978774
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578288
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777539
(3-hydroxyazetidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 63107136
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
(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
6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175108
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (CID 106671501) is (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is CCCc1sc(C(=O)N2CC(O)C(O)C2)cc1CC.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The InChIKey is KJUIOCUDVIEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-5-12-9(4-2)6-13(19-12)14(18)15-7-10(16)11(17)8-15/h6,10-11,16-17H,3-5,7-8H2,1-2H3.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone has a molecular weight of 283.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is sourced from PubChem (CID 106671501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).