(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide

C9H21NO3S — CID 89402738

IUPAC(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide
SMILESCOCCCC[C@H](C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H21NO3S/c1-9(7-5-6-8-13-4)14(11,12)10(2)3/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeySLROYRCYBGZOBV-VIFPVBQESA-N
MW223.34 g/mol
LogP1.08
Rot. Bonds7

About (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide

(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide (PubChem CID 89402738) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide
PubChem CID89402738
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide
SMILESCOCCCC[C@H](C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H21NO3S/c1-9(7-5-6-8-13-4)14(11,12)10(2)3/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeySLROYRCYBGZOBV-VIFPVBQESA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide?
The IUPAC name of (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide (CID 89402738) is (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide.
What is the SMILES notation for (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide?
The canonical SMILES for (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide is COCCCC[C@H](C)S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide?
The InChIKey is SLROYRCYBGZOBV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO3S/c1-9(7-5-6-8-13-4)14(11,12)10(2)3/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide?
(2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-N,N-dimethylhexane-2-sulfonamide is sourced from PubChem (CID 89402738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).