(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine

C17H21NOS — CID 12805916

IUPAC(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine
SMILESCOc1ccc([C@H]2C[C@@H](c3cccs3)C(C)(C)N2)cc1
InChIInChI=1S/C17H21NOS/c1-17(2)14(16-5-4-10-20-16)11-15(18-17)12-6-8-13(19-3)9-7-12/h4-10,14-15,18H,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyIOXBBNAZFRKICN-LSDHHAIUSA-N
MW287.43 g/mol
LogP4.35
Rot. Bonds3

About (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine

(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine (PubChem CID 12805916) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine
PubChem CID12805916
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine
SMILESCOc1ccc([C@H]2C[C@@H](c3cccs3)C(C)(C)N2)cc1
InChIInChI=1S/C17H21NOS/c1-17(2)14(16-5-4-10-20-16)11-15(18-17)12-6-8-13(19-3)9-7-12/h4-10,14-15,18H,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyIOXBBNAZFRKICN-LSDHHAIUSA-N
XLogP4.35
TPSA21.26 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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,5S)-5-(4-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
CID 12621391
(5S,7S)-5-(4-methoxyphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137168635
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
CID 3058152
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
(4S)-N-(4-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695933
5-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 167998027
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine?
The IUPAC name of (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine (CID 12805916) is (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine?
The canonical SMILES for (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine is COc1ccc([C@H]2C[C@@H](c3cccs3)C(C)(C)N2)cc1.
What is the InChIKey of (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine?
The InChIKey is IOXBBNAZFRKICN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21NOS/c1-17(2)14(16-5-4-10-20-16)11-15(18-17)12-6-8-13(19-3)9-7-12/h4-10,14-15,18H,11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine?
(3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine has a molecular weight of 287.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-3-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 12805916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).