1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one

C18H22N4O3S2 — CID 91925942

IUPAC1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(S(=O)(=O)c3cccs3)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C18H22N4O3S2/c23-18-16(6-8-21(18)14-15-4-1-2-7-19-15)20-9-11-22(12-10-20)27(24,25)17-5-3-13-26-17/h1-5,7,13,16H,6,8-12,14H2
InChIKeyBIMRZYXLMHMJEW-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.25
Rot. Bonds5

About 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one

1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 91925942) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID91925942
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(S(=O)(=O)c3cccs3)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C18H22N4O3S2/c23-18-16(6-8-21(18)14-15-4-1-2-7-19-15)20-9-11-22(12-10-20)27(24,25)17-5-3-13-26-17/h1-5,7,13,16H,6,8-12,14H2
InChIKeyBIMRZYXLMHMJEW-UHFFFAOYSA-N
XLogP1.25
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925939
3-[4-(2-ethylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925955
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925943
6-(pyridin-2-ylmethyl)-3-thiophen-2-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 156606155
(1S,5R)-6-(pyridin-2-ylmethyl)-3-thiophen-2-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72845325
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
CID 20590041

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one (CID 91925942) is 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one is O=C1C(N2CCN(S(=O)(=O)c3cccs3)CC2)CCN1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is BIMRZYXLMHMJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c23-18-16(6-8-21(18)14-15-4-1-2-7-19-15)20-9-11-22(12-10-20)27(24,25)17-5-3-13-26-17/h1-5,7,13,16H,6,8-12,14H2.
What are the key properties of 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 91925942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).