2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide

C9H17N3O4S — CID 112684499

IUPAC2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c10-17(14,15)12-3-1-2-8(12)9(13)11-4-6-16-7-5-11/h8H,1-7H2,(H2,10,14,15)
InChIKeyNXXWPIVTHLMOJB-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.49
Rot. Bonds2

About 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide

2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide (PubChem CID 112684499) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
PubChem CID112684499
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c10-17(14,15)12-3-1-2-8(12)9(13)11-4-6-16-7-5-11/h8H,1-7H2,(H2,10,14,15)
InChIKeyNXXWPIVTHLMOJB-UHFFFAOYSA-N
XLogP-1.49
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide (CID 112684499) is 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The InChIKey is NXXWPIVTHLMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c10-17(14,15)12-3-1-2-8(12)9(13)11-4-6-16-7-5-11/h8H,1-7H2,(H2,10,14,15).
What are the key properties of 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 112684499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).