1-hexylsulfonyl-2-propoxypiperidine

C14H29NO3S — CID 20718901

IUPAC1-hexylsulfonyl-2-propoxypiperidine
SMILESCCCCCCS(=O)(=O)N1CCCCC1OCCC
InChIInChI=1S/C14H29NO3S/c1-3-5-6-9-13-19(16,17)15-11-8-7-10-14(15)18-12-4-2/h14H,3-13H2,1-2H3
InChIKeyQQWHBHRSQOIKKT-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.14
Rot. Bonds9

About 1-hexylsulfonyl-2-propoxypiperidine

1-hexylsulfonyl-2-propoxypiperidine (PubChem CID 20718901) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-hexylsulfonyl-2-propoxypiperidine.

Molecular Properties

Compound Name1-hexylsulfonyl-2-propoxypiperidine
PubChem CID20718901
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name1-hexylsulfonyl-2-propoxypiperidine
SMILESCCCCCCS(=O)(=O)N1CCCCC1OCCC
InChIInChI=1S/C14H29NO3S/c1-3-5-6-9-13-19(16,17)15-11-8-7-10-14(15)18-12-4-2/h14H,3-13H2,1-2H3
InChIKeyQQWHBHRSQOIKKT-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexylsulfonyl-2-propoxypiperidine?
The IUPAC name of 1-hexylsulfonyl-2-propoxypiperidine (CID 20718901) is 1-hexylsulfonyl-2-propoxypiperidine.
What is the SMILES notation for 1-hexylsulfonyl-2-propoxypiperidine?
The canonical SMILES for 1-hexylsulfonyl-2-propoxypiperidine is CCCCCCS(=O)(=O)N1CCCCC1OCCC.
What is the InChIKey of 1-hexylsulfonyl-2-propoxypiperidine?
The InChIKey is QQWHBHRSQOIKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-5-6-9-13-19(16,17)15-11-8-7-10-14(15)18-12-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 1-hexylsulfonyl-2-propoxypiperidine?
1-hexylsulfonyl-2-propoxypiperidine has a molecular weight of 291.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylsulfonyl-2-propoxypiperidine is sourced from PubChem (CID 20718901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).