(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide

C11H22N2O3S — CID 96513789

IUPAC(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide
SMILESCCN1C[C@H](C)[C@H](NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13-6-9(2)11(7-13)12-17(14,15)10-4-5-16-8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyODHCNDBTWPSSQX-HBNTYKKESA-N
MW262.37 g/mol
LogP0.03
Rot. Bonds4

About (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide

(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide (PubChem CID 96513789) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide
PubChem CID96513789
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide
SMILESCCN1C[C@H](C)[C@H](NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13-6-9(2)11(7-13)12-17(14,15)10-4-5-16-8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyODHCNDBTWPSSQX-HBNTYKKESA-N
XLogP0.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The IUPAC name of (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide (CID 96513789) is (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide is CCN1C[C@H](C)[C@H](NS(=O)(=O)[C@@H]2CCOC2)C1.
What is the InChIKey of (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The InChIKey is ODHCNDBTWPSSQX-HBNTYKKESA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-13-6-9(2)11(7-13)12-17(14,15)10-4-5-16-8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide?
(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 96513789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).