2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide

C9H20N2O4S — CID 63246934

IUPAC2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H20N2O4S/c1-3-15-4-5-16(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyRLYRXRSTVPQQMU-GKAPJAKFSA-N
MW252.34 g/mol
LogP-1.07
Rot. Bonds7

About 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide

2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide (PubChem CID 63246934) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
PubChem CID63246934
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H20N2O4S/c1-3-15-4-5-16(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyRLYRXRSTVPQQMU-GKAPJAKFSA-N
XLogP-1.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide (CID 63246934) is 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide is CCOCCS(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is RLYRXRSTVPQQMU-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-15-4-5-16(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide?
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 252.34 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 63246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).