4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine

C11H23NO3S — CID 65098075

IUPAC4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCOC1CCC(N)CC1
InChIInChI=1S/C11H23NO3S/c1-2-16(13,14)9-3-8-15-11-6-4-10(12)5-7-11/h10-11H,2-9,12H2,1H3
InChIKeyGAGKBJQJUXKZGC-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.10
Rot. Bonds6

About 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine

4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine (PubChem CID 65098075) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
PubChem CID65098075
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCOC1CCC(N)CC1
InChIInChI=1S/C11H23NO3S/c1-2-16(13,14)9-3-8-15-11-6-4-10(12)5-7-11/h10-11H,2-9,12H2,1H3
InChIKeyGAGKBJQJUXKZGC-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.10
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 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine (CID 65098075) is 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine is CCS(=O)(=O)CCCOC1CCC(N)CC1.
What is the InChIKey of 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine?
The InChIKey is GAGKBJQJUXKZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(13,14)9-3-8-15-11-6-4-10(12)5-7-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine?
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine is sourced from PubChem (CID 65098075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).