4-methoxypyrrolidine-3-sulfonamide

C5H12N2O3S — CID 131182574

IUPAC4-methoxypyrrolidine-3-sulfonamide
SMILESCOC1CNCC1S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-10-4-2-7-3-5(4)11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyLENFCMMNAXCPPH-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.74
Rot. Bonds2

About 4-methoxypyrrolidine-3-sulfonamide

4-methoxypyrrolidine-3-sulfonamide (PubChem CID 131182574) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-methoxypyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name4-methoxypyrrolidine-3-sulfonamide
PubChem CID131182574
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-methoxypyrrolidine-3-sulfonamide
SMILESCOC1CNCC1S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-10-4-2-7-3-5(4)11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyLENFCMMNAXCPPH-UHFFFAOYSA-N
XLogP-1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyrrolidine-3-sulfonamide?
The IUPAC name of 4-methoxypyrrolidine-3-sulfonamide (CID 131182574) is 4-methoxypyrrolidine-3-sulfonamide.
What is the SMILES notation for 4-methoxypyrrolidine-3-sulfonamide?
The canonical SMILES for 4-methoxypyrrolidine-3-sulfonamide is COC1CNCC1S(N)(=O)=O.
What is the InChIKey of 4-methoxypyrrolidine-3-sulfonamide?
The InChIKey is LENFCMMNAXCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-10-4-2-7-3-5(4)11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9).
What are the key properties of 4-methoxypyrrolidine-3-sulfonamide?
4-methoxypyrrolidine-3-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyrrolidine-3-sulfonamide is sourced from PubChem (CID 131182574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).