N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide

C8H17NO3S — CID 167320930

IUPACN-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CC[C@@H](C)OC1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-5-4-7(2)12-6-8/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPJGGVYAGPSUDAO-HTQZYQBOSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds3

About N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide

N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide (PubChem CID 167320930) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide
PubChem CID167320930
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CC[C@@H](C)OC1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-5-4-7(2)12-6-8/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPJGGVYAGPSUDAO-HTQZYQBOSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide?
The IUPAC name of N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide (CID 167320930) is N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CC[C@@H](C)OC1.
What is the InChIKey of N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide?
The InChIKey is PJGGVYAGPSUDAO-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-5-4-7(2)12-6-8/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide?
N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-6-methyloxan-3-yl]ethanesulfonamide is sourced from PubChem (CID 167320930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).