6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

C17H15N3O2S — CID 124954720

IUPAC6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(c1cc2ccccc2s1)N1CCC[C@H]1c1ccnc(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c21-16(15-10-11-4-1-2-6-14(11)23-15)20-9-3-5-13(20)12-7-8-18-17(22)19-12/h1-2,4,6-8,10,13H,3,5,9H2,(H,18,19,22)/t13-/m0/s1
InChIKeyFERQKACTDXMBNT-ZDUSSCGKSA-N
MW325.39 g/mol
LogP2.96
Rot. Bonds2

About 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 124954720) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID124954720
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(c1cc2ccccc2s1)N1CCC[C@H]1c1ccnc(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c21-16(15-10-11-4-1-2-6-14(11)23-15)20-9-3-5-13(20)12-7-8-18-17(22)19-12/h1-2,4,6-8,10,13H,3,5,9H2,(H,18,19,22)/t13-/m0/s1
InChIKeyFERQKACTDXMBNT-ZDUSSCGKSA-N
XLogP2.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114137
6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114866
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124985560
6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125017066
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
1-benzothiophen-2-yl-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 142269608
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 124954720) is 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is O=C(c1cc2ccccc2s1)N1CCC[C@H]1c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is FERQKACTDXMBNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(15-10-11-4-1-2-6-14(11)23-15)20-9-3-5-13(20)12-7-8-18-17(22)19-12/h1-2,4,6-8,10,13H,3,5,9H2,(H,18,19,22)/t13-/m0/s1.
What are the key properties of 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 325.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124954720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).