(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C15H14ClNOS — CID 51728774

IUPAC(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C15H14ClNOS/c16-13-4-1-3-11(9-13)15(18)17-7-2-5-14(17)12-6-8-19-10-12/h1,3-4,6,8-10,14H,2,5,7H2/t14-/m1/s1
InChIKeyWLWFUDMHPNLSJJ-CQSZACIVSA-N
MW291.80 g/mol
LogP4.38
Rot. Bonds2

About (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51728774) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51728774
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C15H14ClNOS/c16-13-4-1-3-11(9-13)15(18)17-7-2-5-14(17)12-6-8-19-10-12/h1,3-4,6,8-10,14H,2,5,7H2/t14-/m1/s1
InChIKeyWLWFUDMHPNLSJJ-CQSZACIVSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722334
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948049

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51728774) is (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is WLWFUDMHPNLSJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-13-4-1-3-11(9-13)15(18)17-7-2-5-14(17)12-6-8-19-10-12/h1,3-4,6,8-10,14H,2,5,7H2/t14-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 291.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51728774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).