6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide

C12H27NO4S — CID 106668491

IUPAC6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
SMILESCOC(C)(C)CCOCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H27NO4S/c1-12(2,16-3)8-10-17-9-6-4-5-7-11-18(13,14)15/h4-11H2,1-3H3,(H2,13,14,15)
InChIKeyIKQSKOPGDJPNTF-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.67
Rot. Bonds11

About 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide

6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide (PubChem CID 106668491) has the molecular formula C12H27NO4S and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
PubChem CID106668491
Molecular FormulaC12H27NO4S
Molecular Weight281.42 g/mol
Exact Mass281.17
IUPAC Name6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
SMILESCOC(C)(C)CCOCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H27NO4S/c1-12(2,16-3)8-10-17-9-6-4-5-7-11-18(13,14)15/h4-11H2,1-3H3,(H2,13,14,15)
InChIKeyIKQSKOPGDJPNTF-UHFFFAOYSA-N
XLogP1.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
CID 112590353
9-propoxynonane-1-sulfonamide
CID 105343921
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
8-(5,5-dimethyl-8-methylsulfonyloctoxy)-4,4-dimethyloctane-1-sulfonamide
CID 20805312
3-methoxypropane-1-sulfonamide
CID 22737399
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
dodecane-1,12-disulfonamide
CID 57288842
2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
CID 106810758
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide
CID 22085257
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide?
The IUPAC name of 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide (CID 106668491) is 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide is COC(C)(C)CCOCCCCCCS(N)(=O)=O.
What is the InChIKey of 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide?
The InChIKey is IKQSKOPGDJPNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4S/c1-12(2,16-3)8-10-17-9-6-4-5-7-11-18(13,14)15/h4-11H2,1-3H3,(H2,13,14,15).
What are the key properties of 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide?
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide has a molecular weight of 281.42 g/mol, XLogP of 1.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide is sourced from PubChem (CID 106668491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).