N-methyl-N-(oxan-4-yl)ethanesulfonamide

C8H17NO3S — CID 64586870

IUPACN-methyl-N-(oxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9(2)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3
InChIKeyNNNNAXXYBUDKSQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-N-(oxan-4-yl)ethanesulfonamide

N-methyl-N-(oxan-4-yl)ethanesulfonamide (PubChem CID 64586870) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)ethanesulfonamide
PubChem CID64586870
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-methyl-N-(oxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9(2)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3
InChIKeyNNNNAXXYBUDKSQ-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)ethanesulfonamide (CID 64586870) is N-methyl-N-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)ethanesulfonamide is CCS(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The InChIKey is NNNNAXXYBUDKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)9(2)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-yl)ethanesulfonamide?
N-methyl-N-(oxan-4-yl)ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 64586870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).