N-[1-(oxan-4-yl)ethyl]methanesulfonamide

C8H17NO3S — CID 103768615

IUPACN-[1-(oxan-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-7(9-13(2,10)11)8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyLKGDULDKCAAGFP-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.35
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]methanesulfonamide

N-[1-(oxan-4-yl)ethyl]methanesulfonamide (PubChem CID 103768615) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]methanesulfonamide
PubChem CID103768615
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[1-(oxan-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-7(9-13(2,10)11)8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyLKGDULDKCAAGFP-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]methanesulfonamide (CID 103768615) is N-[1-(oxan-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]methanesulfonamide?
The InChIKey is LKGDULDKCAAGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(9-13(2,10)11)8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]methanesulfonamide?
N-[1-(oxan-4-yl)ethyl]methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 103768615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).