[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C17H20N2OS — CID 30035561

IUPAC[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-18(2)14-9-7-13(8-10-14)17(20)19-11-3-5-15(19)16-6-4-12-21-16/h4,6-10,12,15H,3,5,11H2,1-2H3/t15-/m1/s1
InChIKeyNKVSDERFEKKPSQ-OAHLLOKOSA-N
MW300.43 g/mol
LogP3.79
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 30035561) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID30035561
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-18(2)14-9-7-13(8-10-14)17(20)19-11-3-5-15(19)16-6-4-12-21-16/h4,6-10,12,15H,3,5,11H2,1-2H3/t15-/m1/s1
InChIKeyNKVSDERFEKKPSQ-OAHLLOKOSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51152885
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134046698
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 30035561) is [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is NKVSDERFEKKPSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18(2)14-9-7-13(8-10-14)17(20)19-11-3-5-15(19)16-6-4-12-21-16/h4,6-10,12,15H,3,5,11H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 300.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 30035561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).