N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide

C7H17NO3S — CID 115617292

IUPACN-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)COC
InChIInChI=1S/C7H17NO3S/c1-5-12(9,10)8-7(2,3)6-11-4/h8H,5-6H2,1-4H3
InChIKeyILHXXSLERIKEAI-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.35
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide

N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide (PubChem CID 115617292) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
PubChem CID115617292
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)COC
InChIInChI=1S/C7H17NO3S/c1-5-12(9,10)8-7(2,3)6-11-4/h8H,5-6H2,1-4H3
InChIKeyILHXXSLERIKEAI-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)ethanesulfonamide
CID 61124177
N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
CID 39242687
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
(4-nitrophenyl) N-(1-methoxy-2-methylpropan-2-yl)sulfamate
CID 156808933
N-(2-tert-butylsulfonylethyl)-1-methoxy-2-methylpropan-2-amine
CID 103713921

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide (CID 115617292) is N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)(C)COC.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide?
The InChIKey is ILHXXSLERIKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-5-12(9,10)8-7(2,3)6-11-4/h8H,5-6H2,1-4H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 115617292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).