N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide

C11H23NO5S — CID 123434709

IUPACN-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
SMILESCCOC(CNS(C)(=O)=O)COC1CCOCC1
InChIInChI=1S/C11H23NO5S/c1-3-16-11(8-12-18(2,13)14)9-17-10-4-6-15-7-5-10/h10-12H,3-9H2,1-2H3
InChIKeyRIWNUHQDLRIOGD-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.14
Rot. Bonds8

About N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide

N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide (PubChem CID 123434709) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
PubChem CID123434709
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC NameN-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
SMILESCCOC(CNS(C)(=O)=O)COC1CCOCC1
InChIInChI=1S/C11H23NO5S/c1-3-16-11(8-12-18(2,13)14)9-17-10-4-6-15-7-5-10/h10-12H,3-9H2,1-2H3
InChIKeyRIWNUHQDLRIOGD-UHFFFAOYSA-N
XLogP0.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-diethoxyethoxy)oxane
CID 63627894
1,1-diethoxy-3-(oxan-4-yloxy)propan-2-ol
CID 164530106
2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
CID 64999420
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
CID 65012606
N-tert-butyl-N-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]oxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
CID 70799455
N-ethyl-1-(oxan-4-yloxy)pentan-2-amine
CID 62043214
2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
CID 64696633
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine
CID 114228674
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
2-ethoxy-1-(oxan-4-yl)propan-1-one
CID 64539233

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide?
The IUPAC name of N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide (CID 123434709) is N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide.
What is the SMILES notation for N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide?
The canonical SMILES for N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide is CCOC(CNS(C)(=O)=O)COC1CCOCC1.
What is the InChIKey of N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide?
The InChIKey is RIWNUHQDLRIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-3-16-11(8-12-18(2,13)14)9-17-10-4-6-15-7-5-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide?
N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide has a molecular weight of 281.37 g/mol, XLogP of 0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide is sourced from PubChem (CID 123434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).