3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide

C9H21NO4S — CID 103491006

IUPAC3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide
SMILESCCOCC(C)OCC(C)CS(N)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-4-13-6-9(3)14-5-8(2)7-15(10,11)12/h8-9H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyJYEXBUACZIZHFU-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.35
Rot. Bonds8

About 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide

3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide (PubChem CID 103491006) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide
PubChem CID103491006
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide
SMILESCCOCC(C)OCC(C)CS(N)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-4-13-6-9(3)14-5-8(2)7-15(10,11)12/h8-9H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyJYEXBUACZIZHFU-UHFFFAOYSA-N
XLogP0.35
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethoxypropane-1-sulfonamide
CID 134690757
[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
CID 164634173
2-[2-(2-Ethoxyethoxy)ethoxy]ethanesulfonamide
CID 22491144
Tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate
CID 58408706
Methyl 3-(2-butan-2-yloxyethoxy)propane-1-sulfonate
CID 59789561
3-(2-Methoxypropoxy)-2-(2-methoxypropoxymethyl)propane-1-sulfonate
CID 59892868
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethanesulfonamide
CID 87958498
2-(2-Ethylsulfonyloxypropoxy)ethyl ethanesulfonate
CID 89439288
2-Methylbutane;methyl 2-butan-2-yloxyethanesulfonate
CID 91001998
2-Methylpropyl 2-(oxiran-2-ylmethoxy)ethanesulfonate
CID 122581371
Methyl 3-(2-methoxypropoxy)-2-(2-methoxypropoxymethyl)propane-1-sulfonate
CID 129223540
2-(2-Methylpropoxy)ethyl ethanesulfonate
CID 139845420

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide (CID 103491006) is 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide is CCOCC(C)OCC(C)CS(N)(=O)=O.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide?
The InChIKey is JYEXBUACZIZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-4-13-6-9(3)14-5-8(2)7-15(10,11)12/h8-9H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide?
3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103491006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).