1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol

C17H21NOS — CID 130546235

IUPAC1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
SMILESCc1cc(C2(O)CCN(Cc3ccccc3)C2C)cs1
InChIInChI=1S/C17H21NOS/c1-13-10-16(12-20-13)17(19)8-9-18(14(17)2)11-15-6-4-3-5-7-15/h3-7,10,12,14,19H,8-9,11H2,1-2H3
InChIKeyLXGXNLXDNPXKQF-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.54
Rot. Bonds3

About 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol

1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol (PubChem CID 130546235) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
PubChem CID130546235
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
SMILESCc1cc(C2(O)CCN(Cc3ccccc3)C2C)cs1
InChIInChI=1S/C17H21NOS/c1-13-10-16(12-20-13)17(19)8-9-18(14(17)2)11-15-6-4-3-5-7-15/h3-7,10,12,14,19H,8-9,11H2,1-2H3
InChIKeyLXGXNLXDNPXKQF-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
CID 130546252
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
CID 19382194
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406
1-benzyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 563820
2-benzyl-8a-hydroxy-4a-(5-methoxy-2-methylphenyl)-1-methylspiro[1,3,4,5,7,8-hexahydroisoquinoline-6,5'-imidazolidine]-2',4'-dione
CID 123968766
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
CID 178002287

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol (CID 130546235) is 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol is Cc1cc(C2(O)CCN(Cc3ccccc3)C2C)cs1.
What is the InChIKey of 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol?
The InChIKey is LXGXNLXDNPXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-10-16(12-20-13)17(19)8-9-18(14(17)2)11-15-6-4-3-5-7-15/h3-7,10,12,14,19H,8-9,11H2,1-2H3.
What are the key properties of 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol?
1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol has a molecular weight of 287.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130546235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).