(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide

C11H23NO4S — CID 166673768

IUPAC(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide
SMILESC=CC[C@@H](CC[C@@H](O)CCO)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-3-4-10(9(2)17(12,15)16)5-6-11(14)7-8-13/h3,9-11,13-14H,1,4-8H2,2H3,(H2,12,15,16)/t9-,10-,11+/m0/s1
InChIKeyQFNHTNVDMJQEDP-GARJFASQSA-N
MW265.38 g/mol
LogP0.38
Rot. Bonds9

About (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide

(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide (PubChem CID 166673768) has the molecular formula C11H23NO4S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide
PubChem CID166673768
Molecular FormulaC11H23NO4S
Molecular Weight265.38 g/mol
Exact Mass265.13
IUPAC Name(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide
SMILESC=CC[C@@H](CC[C@@H](O)CCO)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-3-4-10(9(2)17(12,15)16)5-6-11(14)7-8-13/h3,9-11,13-14H,1,4-8H2,2H3,(H2,12,15,16)/t9-,10-,11+/m0/s1
InChIKeyQFNHTNVDMJQEDP-GARJFASQSA-N
XLogP0.38
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide?
The IUPAC name of (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide (CID 166673768) is (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide.
What is the SMILES notation for (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide?
The canonical SMILES for (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide is C=CC[C@@H](CC[C@@H](O)CCO)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide?
The InChIKey is QFNHTNVDMJQEDP-GARJFASQSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-4-10(9(2)17(12,15)16)5-6-11(14)7-8-13/h3,9-11,13-14H,1,4-8H2,2H3,(H2,12,15,16)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide?
(2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-6,8-dihydroxy-3-prop-2-enyloctane-2-sulfonamide is sourced from PubChem (CID 166673768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).