6-ethylsulfonyl-1-propoxyhexan-3-amine

C11H25NO3S — CID 105152575

IUPAC6-ethylsulfonyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11H,3-10,12H2,1-2H3
InChIKeyDFCHKTSYTIZJQK-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.35
Rot. Bonds10

About 6-ethylsulfonyl-1-propoxyhexan-3-amine

6-ethylsulfonyl-1-propoxyhexan-3-amine (PubChem CID 105152575) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-ethylsulfonyl-1-propoxyhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-1-propoxyhexan-3-amine
PubChem CID105152575
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name6-ethylsulfonyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11H,3-10,12H2,1-2H3
InChIKeyDFCHKTSYTIZJQK-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.35
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 6-ethylsulfonyl-1-propoxyhexan-3-amine?
The IUPAC name of 6-ethylsulfonyl-1-propoxyhexan-3-amine (CID 105152575) is 6-ethylsulfonyl-1-propoxyhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-1-propoxyhexan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-1-propoxyhexan-3-amine is CCCOCCC(N)CCCS(=O)(=O)CC.
What is the InChIKey of 6-ethylsulfonyl-1-propoxyhexan-3-amine?
The InChIKey is DFCHKTSYTIZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-1-propoxyhexan-3-amine?
6-ethylsulfonyl-1-propoxyhexan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1-propoxyhexan-3-amine is sourced from PubChem (CID 105152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).