N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide

C9H19N3O4S — CID 43597179

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19N3O4S/c1-15-9-7-10-6-8(9)11-17(13,14)12-2-4-16-5-3-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyWJUGXRICCZCNDG-GKAPJAKFSA-N
MW265.33 g/mol
LogP-1.86
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide (PubChem CID 43597179) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide
PubChem CID43597179
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19N3O4S/c1-15-9-7-10-6-8(9)11-17(13,14)12-2-4-16-5-3-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyWJUGXRICCZCNDG-GKAPJAKFSA-N
XLogP-1.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide (CID 43597179) is N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide?
The InChIKey is WJUGXRICCZCNDG-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-15-9-7-10-6-8(9)11-17(13,14)12-2-4-16-5-3-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide has a molecular weight of 265.33 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 43597179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).