2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide

C14H32N2O5S2 — CID 22085257

IUPAC2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide
SMILESCC(C)(CCCCOCCCCC(C)(C)S(N)(=O)=O)S(N)(=O)=O
InChIInChI=1S/C14H32N2O5S2/c1-13(2,22(15,17)18)9-5-7-11-21-12-8-6-10-14(3,4)23(16,19)20/h5-12H2,1-4H3,(H2,15,17,18)(H2,16,19,20)
InChIKeyMAUMGANGKAJXNP-UHFFFAOYSA-N
MW372.55 g/mol
LogP1.48
Rot. Bonds12

About 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide

2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide (PubChem CID 22085257) has the molecular formula C14H32N2O5S2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide
PubChem CID22085257
Molecular FormulaC14H32N2O5S2
Molecular Weight372.55 g/mol
Exact Mass372.18
IUPAC Name2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide
SMILESCC(C)(CCCCOCCCCC(C)(C)S(N)(=O)=O)S(N)(=O)=O
InChIInChI=1S/C14H32N2O5S2/c1-13(2,22(15,17)18)9-5-7-11-21-12-8-6-10-14(3,4)23(16,19)20/h5-12H2,1-4H3,(H2,15,17,18)(H2,16,19,20)
InChIKeyMAUMGANGKAJXNP-UHFFFAOYSA-N
XLogP1.48
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(5,5-dimethylheptoxy)-2-methylhexane-2-sulfonamide
CID 59296348
8-(5,5-dimethyl-8-methylsulfonyloctoxy)-4,4-dimethyloctane-1-sulfonamide
CID 20805312
6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol
CID 20805278
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
CID 112590353
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
CID 140886143
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-butoxy-5,5-dimethylhexane
CID 134574772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide?
The IUPAC name of 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide (CID 22085257) is 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide.
What is the SMILES notation for 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide?
The canonical SMILES for 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide is CC(C)(CCCCOCCCCC(C)(C)S(N)(=O)=O)S(N)(=O)=O.
What is the InChIKey of 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide?
The InChIKey is MAUMGANGKAJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O5S2/c1-13(2,22(15,17)18)9-5-7-11-21-12-8-6-10-14(3,4)23(16,19)20/h5-12H2,1-4H3,(H2,15,17,18)(H2,16,19,20).
What are the key properties of 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide?
2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide has a molecular weight of 372.55 g/mol, XLogP of 1.48, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide is sourced from PubChem (CID 22085257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).