(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

C16H21N3O4S — CID 51937420

IUPAC(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C16H21N3O4S/c1-17-12-13(11-15(17)20)16(21)18-7-9-19(10-8-18)24(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/t13-/m1/s1
InChIKeyHUUSVEOFBULZKX-CYBMUJFWSA-N
MW351.43 g/mol
LogP-0.00
Rot. Bonds3

About (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 51937420) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID51937420
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C16H21N3O4S/c1-17-12-13(11-15(17)20)16(21)18-7-9-19(10-8-18)24(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/t13-/m1/s1
InChIKeyHUUSVEOFBULZKX-CYBMUJFWSA-N
XLogP-0.00
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284
1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 51937420) is (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is HUUSVEOFBULZKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-17-12-13(11-15(17)20)16(21)18-7-9-19(10-8-18)24(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 351.43 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 51937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).