2-(hexoxymethyl)-3-methylbutane-1-sulfonamide

C12H27NO3S — CID 65013146

IUPAC2-(hexoxymethyl)-3-methylbutane-1-sulfonamide
SMILESCCCCCCOCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-4-5-6-7-8-16-9-12(11(2)3)10-17(13,14)15/h11-12H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyGVCFADDRYUOADN-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.14
Rot. Bonds10

About 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide

2-(hexoxymethyl)-3-methylbutane-1-sulfonamide (PubChem CID 65013146) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-(hexoxymethyl)-3-methylbutane-1-sulfonamide
PubChem CID65013146
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-(hexoxymethyl)-3-methylbutane-1-sulfonamide
SMILESCCCCCCOCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-4-5-6-7-8-16-9-12(11(2)3)10-17(13,14)15/h11-12H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyGVCFADDRYUOADN-UHFFFAOYSA-N
XLogP2.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
CID 82795242
3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
CID 65012689
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(3S)-4-hexoxy-3-methylbutanal
CID 59869392
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(3,3,3-trifluoro-2-methylpropoxy)octane
CID 22002907
1-pentoxypropan-2-yl formate
CID 54282831
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992

Frequently Asked Questions

What is the IUPAC name of 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide (CID 65013146) is 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide is CCCCCCOCC(CS(N)(=O)=O)C(C)C.
What is the InChIKey of 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is GVCFADDRYUOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-4-5-6-7-8-16-9-12(11(2)3)10-17(13,14)15/h11-12H,4-10H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide?
2-(hexoxymethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 65013146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).