1-ethoxy-6-ethylsulfonylhexan-3-amine

C10H23NO3S — CID 105152701

IUPAC1-ethoxy-6-ethylsulfonylhexan-3-amine
SMILESCCOCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-3-14-8-7-10(11)6-5-9-15(12,13)4-2/h10H,3-9,11H2,1-2H3
InChIKeyORLDENWSVQUPDE-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.96
Rot. Bonds9

About 1-ethoxy-6-ethylsulfonylhexan-3-amine

1-ethoxy-6-ethylsulfonylhexan-3-amine (PubChem CID 105152701) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-ethoxy-6-ethylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1-ethoxy-6-ethylsulfonylhexan-3-amine
PubChem CID105152701
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-ethoxy-6-ethylsulfonylhexan-3-amine
SMILESCCOCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-3-14-8-7-10(11)6-5-9-15(12,13)4-2/h10H,3-9,11H2,1-2H3
InChIKeyORLDENWSVQUPDE-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-ethylsulfonylhexan-3-amine?
The IUPAC name of 1-ethoxy-6-ethylsulfonylhexan-3-amine (CID 105152701) is 1-ethoxy-6-ethylsulfonylhexan-3-amine.
What is the SMILES notation for 1-ethoxy-6-ethylsulfonylhexan-3-amine?
The canonical SMILES for 1-ethoxy-6-ethylsulfonylhexan-3-amine is CCOCCC(N)CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethoxy-6-ethylsulfonylhexan-3-amine?
The InChIKey is ORLDENWSVQUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-14-8-7-10(11)6-5-9-15(12,13)4-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-ethoxy-6-ethylsulfonylhexan-3-amine?
1-ethoxy-6-ethylsulfonylhexan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-ethylsulfonylhexan-3-amine is sourced from PubChem (CID 105152701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).