2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide

C10H21NO3S — CID 102174654

IUPAC2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
SMILESCC/C=C\CCC(C)NS(=O)(=O)CCO
InChIInChI=1S/C10H21NO3S/c1-3-4-5-6-7-10(2)11-15(13,14)9-8-12/h4-5,10-12H,3,6-9H2,1-2H3/b5-4-
InChIKeyJEJQRRZMVPMMOU-PLNGDYQASA-N
MW235.35 g/mol
LogP1.03
Rot. Bonds8

About 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide

2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide (PubChem CID 102174654) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
PubChem CID102174654
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
SMILESCC/C=C\CCC(C)NS(=O)(=O)CCO
InChIInChI=1S/C10H21NO3S/c1-3-4-5-6-7-10(2)11-15(13,14)9-8-12/h4-5,10-12H,3,6-9H2,1-2H3/b5-4-
InChIKeyJEJQRRZMVPMMOU-PLNGDYQASA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
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 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide (CID 102174654) is 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide is CC/C=C\CCC(C)NS(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide?
The InChIKey is JEJQRRZMVPMMOU-PLNGDYQASA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-5-6-7-10(2)11-15(13,14)9-8-12/h4-5,10-12H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide?
2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide is sourced from PubChem (CID 102174654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).