1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one

C10H18N2O4S — CID 19987175

IUPAC1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1C(=O)CCC1CN1CCOCC1
InChIInChI=1S/C10H18N2O4S/c1-17(14,15)12-9(2-3-10(12)13)8-11-4-6-16-7-5-11/h9H,2-8H2,1H3
InChIKeyPCGAEPIUPROWAF-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.73
Rot. Bonds3

About 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one

1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987175) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987175
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1C(=O)CCC1CN1CCOCC1
InChIInChI=1S/C10H18N2O4S/c1-17(14,15)12-9(2-3-10(12)13)8-11-4-6-16-7-5-11/h9H,2-8H2,1H3
InChIKeyPCGAEPIUPROWAF-UHFFFAOYSA-N
XLogP-0.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one (CID 19987175) is 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one is CS(=O)(=O)N1C(=O)CCC1CN1CCOCC1.
What is the InChIKey of 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is PCGAEPIUPROWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-17(14,15)12-9(2-3-10(12)13)8-11-4-6-16-7-5-11/h9H,2-8H2,1H3.
What are the key properties of 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one?
1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).