(3S,4R)-4-methoxyoxolane-3-sulfonamide

C5H11NO4S — CID 132992802

IUPAC(3S,4R)-4-methoxyoxolane-3-sulfonamide
SMILESCO[C@@H]1COC[C@@H]1S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/t4-,5+/m1/s1
InChIKeyQCMQAYGICSHMJG-UHNVWZDZSA-N
MW181.21 g/mol
LogP-1.31
Rot. Bonds2

About (3S,4R)-4-methoxyoxolane-3-sulfonamide

(3S,4R)-4-methoxyoxolane-3-sulfonamide (PubChem CID 132992802) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (3S,4R)-4-methoxyoxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-4-methoxyoxolane-3-sulfonamide
PubChem CID132992802
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(3S,4R)-4-methoxyoxolane-3-sulfonamide
SMILESCO[C@@H]1COC[C@@H]1S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/t4-,5+/m1/s1
InChIKeyQCMQAYGICSHMJG-UHNVWZDZSA-N
XLogP-1.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxyoxolane-3-sulfonamide?
The IUPAC name of (3S,4R)-4-methoxyoxolane-3-sulfonamide (CID 132992802) is (3S,4R)-4-methoxyoxolane-3-sulfonamide.
What is the SMILES notation for (3S,4R)-4-methoxyoxolane-3-sulfonamide?
The canonical SMILES for (3S,4R)-4-methoxyoxolane-3-sulfonamide is CO[C@@H]1COC[C@@H]1S(N)(=O)=O.
What is the InChIKey of (3S,4R)-4-methoxyoxolane-3-sulfonamide?
The InChIKey is QCMQAYGICSHMJG-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-4-methoxyoxolane-3-sulfonamide?
(3S,4R)-4-methoxyoxolane-3-sulfonamide has a molecular weight of 181.21 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxyoxolane-3-sulfonamide is sourced from PubChem (CID 132992802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).