(3R,4R)-3-prop-2-enyloxane-4-sulfonamide

C8H15NO3S — CID 130367724

IUPAC(3R,4R)-3-prop-2-enyloxane-4-sulfonamide
SMILESC=CC[C@@H]1COCC[C@H]1S(N)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,7-8H,1,3-6H2,(H2,9,10,11)/t7-,8-/m1/s1
InChIKeyYBMURQYFWKPSRH-HTQZYQBOSA-N
MW205.28 g/mol
LogP0.26
Rot. Bonds3

About (3R,4R)-3-prop-2-enyloxane-4-sulfonamide

(3R,4R)-3-prop-2-enyloxane-4-sulfonamide (PubChem CID 130367724) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (3R,4R)-3-prop-2-enyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-prop-2-enyloxane-4-sulfonamide
PubChem CID130367724
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(3R,4R)-3-prop-2-enyloxane-4-sulfonamide
SMILESC=CC[C@@H]1COCC[C@H]1S(N)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,7-8H,1,3-6H2,(H2,9,10,11)/t7-,8-/m1/s1
InChIKeyYBMURQYFWKPSRH-HTQZYQBOSA-N
XLogP0.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R,4R)-3-prop-2-enyloxane-4-sulfonamide?
The IUPAC name of (3R,4R)-3-prop-2-enyloxane-4-sulfonamide (CID 130367724) is (3R,4R)-3-prop-2-enyloxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-3-prop-2-enyloxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-3-prop-2-enyloxane-4-sulfonamide is C=CC[C@@H]1COCC[C@H]1S(N)(=O)=O.
What is the InChIKey of (3R,4R)-3-prop-2-enyloxane-4-sulfonamide?
The InChIKey is YBMURQYFWKPSRH-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,7-8H,1,3-6H2,(H2,9,10,11)/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-3-prop-2-enyloxane-4-sulfonamide?
(3R,4R)-3-prop-2-enyloxane-4-sulfonamide has a molecular weight of 205.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-prop-2-enyloxane-4-sulfonamide is sourced from PubChem (CID 130367724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).