N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide

C9H21NO3S — CID 114944335

IUPACN-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C9H21NO3S/c1-5-7-14(11,12)10-8-9(3,4)13-6-2/h10H,5-8H2,1-4H3
InChIKeyVWTHUJHKKKJYQB-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.13
Rot. Bonds7

About N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide

N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide (PubChem CID 114944335) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
PubChem CID114944335
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C9H21NO3S/c1-5-7-14(11,12)10-8-9(3,4)13-6-2/h10H,5-8H2,1-4H3
InChIKeyVWTHUJHKKKJYQB-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682
N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
CID 114142427
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide (CID 114944335) is N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(C)OCC.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The InChIKey is VWTHUJHKKKJYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-5-7-14(11,12)10-8-9(3,4)13-6-2/h10H,5-8H2,1-4H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 114944335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).