1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C13H18N2O4S — CID 168716591

IUPAC1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc([C@H](C)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(10-3-5-11(19-2)6-4-10)15-8-12(7-13(15)16)20(14,17)18/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17,18)/t9-,12?/m0/s1
InChIKeyZYLIITAWFUOXQK-QHGLUPRGSA-N
MW298.36 g/mol
LogP0.65
Rot. Bonds4

About 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716591) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716591
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc([C@H](C)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(10-3-5-11(19-2)6-4-10)15-8-12(7-13(15)16)20(14,17)18/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17,18)/t9-,12?/m0/s1
InChIKeyZYLIITAWFUOXQK-QHGLUPRGSA-N
XLogP0.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716577
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716563
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123475689
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150
tert-butyl 1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130348391

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716591) is 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is COc1ccc([C@H](C)N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ZYLIITAWFUOXQK-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9(10-3-5-11(19-2)6-4-10)15-8-12(7-13(15)16)20(14,17)18/h3-6,9,12H,7-8H2,1-2H3,(H2,14,17,18)/t9-,12?/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).