(3S)-N-prop-2-ynyloxolane-3-sulfonamide

C7H11NO3S — CID 124646260

IUPAC(3S)-N-prop-2-ynyloxolane-3-sulfonamide
SMILESC#CCNS(=O)(=O)[C@H]1CCOC1
InChIInChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2/t7-/m0/s1
InChIKeyHTOYHOWHSSPRAT-ZETCQYMHSA-N
MW189.24 g/mol
LogP-0.67
Rot. Bonds3

About (3S)-N-prop-2-ynyloxolane-3-sulfonamide

(3S)-N-prop-2-ynyloxolane-3-sulfonamide (PubChem CID 124646260) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is (3S)-N-prop-2-ynyloxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-prop-2-ynyloxolane-3-sulfonamide
PubChem CID124646260
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name(3S)-N-prop-2-ynyloxolane-3-sulfonamide
SMILESC#CCNS(=O)(=O)[C@H]1CCOC1
InChIInChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2/t7-/m0/s1
InChIKeyHTOYHOWHSSPRAT-ZETCQYMHSA-N
XLogP-0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-prop-2-ynyloxolane-3-sulfonamide?
The IUPAC name of (3S)-N-prop-2-ynyloxolane-3-sulfonamide (CID 124646260) is (3S)-N-prop-2-ynyloxolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-prop-2-ynyloxolane-3-sulfonamide?
The canonical SMILES for (3S)-N-prop-2-ynyloxolane-3-sulfonamide is C#CCNS(=O)(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-prop-2-ynyloxolane-3-sulfonamide?
The InChIKey is HTOYHOWHSSPRAT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2/t7-/m0/s1.
What are the key properties of (3S)-N-prop-2-ynyloxolane-3-sulfonamide?
(3S)-N-prop-2-ynyloxolane-3-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-prop-2-ynyloxolane-3-sulfonamide is sourced from PubChem (CID 124646260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).