(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C18H25N3O5S — CID 92613476

IUPAC(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-15-4-6-16(7-5-15)27(24,25)21-12-10-20(11-13-21)18(23)9-3-14-2-8-17(22)19-14/h4-7,14H,2-3,8-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyXKTXIWNTSNYLAU-AWEZNQCLSA-N
MW395.48 g/mol
LogP0.59
Rot. Bonds6

About (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one

(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 92613476) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID92613476
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-15-4-6-16(7-5-15)27(24,25)21-12-10-20(11-13-21)18(23)9-3-14-2-8-17(22)19-14/h4-7,14H,2-3,8-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyXKTXIWNTSNYLAU-AWEZNQCLSA-N
XLogP0.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
2-(cyclopropylmethylamino)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678690
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 4815524
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567472
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753
cis-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230422
3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46479984
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 92613476) is (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)cc1.
What is the InChIKey of (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is XKTXIWNTSNYLAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-26-15-4-6-16(7-5-15)27(24,25)21-12-10-20(11-13-21)18(23)9-3-14-2-8-17(22)19-14/h4-7,14H,2-3,8-13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 92613476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).