(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide

C11H21NO4S — CID 175721393

IUPAC(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide
SMILESC=CC[C@@H](OC)[C@H](C[C@H]1CCCO1)S(N)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-3-5-10(15-2)11(17(12,13)14)8-9-6-4-7-16-9/h3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t9-,10-,11+/m1/s1
InChIKeyZCYWBAIBZNHXCE-MXWKQRLJSA-N
MW263.36 g/mol
LogP0.80
Rot. Bonds7

About (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide

(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide (PubChem CID 175721393) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide
PubChem CID175721393
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide
SMILESC=CC[C@@H](OC)[C@H](C[C@H]1CCCO1)S(N)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-3-5-10(15-2)11(17(12,13)14)8-9-6-4-7-16-9/h3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t9-,10-,11+/m1/s1
InChIKeyZCYWBAIBZNHXCE-MXWKQRLJSA-N
XLogP0.80
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide?
The IUPAC name of (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide (CID 175721393) is (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide is C=CC[C@@H](OC)[C@H](C[C@H]1CCCO1)S(N)(=O)=O.
What is the InChIKey of (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide?
The InChIKey is ZCYWBAIBZNHXCE-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-5-10(15-2)11(17(12,13)14)8-9-6-4-7-16-9/h3,9-11H,1,4-8H2,2H3,(H2,12,13,14)/t9-,10-,11+/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide?
(2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-1-[(2R)-oxolan-2-yl]hex-5-ene-2-sulfonamide is sourced from PubChem (CID 175721393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).