5-ethylsulfonyl-1-methoxypentan-2-amine

C8H19NO3S — CID 62319088

IUPAC5-ethylsulfonyl-1-methoxypentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COC
InChIInChI=1S/C8H19NO3S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h8H,3-7,9H2,1-2H3
InChIKeyOMQNVMMFLBAZRE-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.17
Rot. Bonds7

About 5-ethylsulfonyl-1-methoxypentan-2-amine

5-ethylsulfonyl-1-methoxypentan-2-amine (PubChem CID 62319088) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-methoxypentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-methoxypentan-2-amine
PubChem CID62319088
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name5-ethylsulfonyl-1-methoxypentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COC
InChIInChI=1S/C8H19NO3S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h8H,3-7,9H2,1-2H3
InChIKeyOMQNVMMFLBAZRE-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-methoxypentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-methoxypentan-2-amine (CID 62319088) is 5-ethylsulfonyl-1-methoxypentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-methoxypentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-methoxypentan-2-amine is CCS(=O)(=O)CCCC(N)COC.
What is the InChIKey of 5-ethylsulfonyl-1-methoxypentan-2-amine?
The InChIKey is OMQNVMMFLBAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-methoxypentan-2-amine?
5-ethylsulfonyl-1-methoxypentan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-methoxypentan-2-amine is sourced from PubChem (CID 62319088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).