[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C16H23N3O4S — CID 168683138

IUPAC[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C16H23N3O4S/c17-24(21,22)12-14-9-16(20)19(11-14)15-3-1-2-13(8-15)10-18-4-6-23-7-5-18/h1-3,8,14H,4-7,9-12H2,(H2,17,21,22)
InChIKeyMTSJEIQRYVYJNC-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.16
Rot. Bonds5

About [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683138) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683138
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C16H23N3O4S/c17-24(21,22)12-14-9-16(20)19(11-14)15-3-1-2-13(8-15)10-18-4-6-23-7-5-18/h1-3,8,14H,4-7,9-12H2,(H2,17,21,22)
InChIKeyMTSJEIQRYVYJNC-UHFFFAOYSA-N
XLogP0.16
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
1-[3-(morpholin-4-ylmethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672143
[1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674395
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680676
1-[4-(morpholin-4-ylmethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672092
[1-[3-(hydrazinecarbonyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683124
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[5-oxo-1-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683188
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
4-(azidomethyl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658386
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499

Frequently Asked Questions

What is the IUPAC name of [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683138) is [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2cccc(CN3CCOCC3)c2)C1.
What is the InChIKey of [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MTSJEIQRYVYJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c17-24(21,22)12-14-9-16(20)19(11-14)15-3-1-2-13(8-15)10-18-4-6-23-7-5-18/h1-3,8,14H,4-7,9-12H2,(H2,17,21,22).
What are the key properties of [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).