(3R)-3-butoxy-1-ethylsulfonylpiperidine

C11H23NO3S — CID 134556293

IUPAC(3R)-3-butoxy-1-ethylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H23NO3S/c1-3-5-9-15-11-7-6-8-12(10-11)16(13,14)4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyROIDXAJFHGNDCX-LLVKDONJSA-N
MW249.38 g/mol
LogP1.62
Rot. Bonds6

About (3R)-3-butoxy-1-ethylsulfonylpiperidine

(3R)-3-butoxy-1-ethylsulfonylpiperidine (PubChem CID 134556293) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (3R)-3-butoxy-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-butoxy-1-ethylsulfonylpiperidine
PubChem CID134556293
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(3R)-3-butoxy-1-ethylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H23NO3S/c1-3-5-9-15-11-7-6-8-12(10-11)16(13,14)4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyROIDXAJFHGNDCX-LLVKDONJSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.62
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 (3R)-3-butoxy-1-ethylsulfonylpiperidine?
The IUPAC name of (3R)-3-butoxy-1-ethylsulfonylpiperidine (CID 134556293) is (3R)-3-butoxy-1-ethylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-butoxy-1-ethylsulfonylpiperidine?
The canonical SMILES for (3R)-3-butoxy-1-ethylsulfonylpiperidine is CCCCO[C@@H]1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of (3R)-3-butoxy-1-ethylsulfonylpiperidine?
The InChIKey is ROIDXAJFHGNDCX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-5-9-15-11-7-6-8-12(10-11)16(13,14)4-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-butoxy-1-ethylsulfonylpiperidine?
(3R)-3-butoxy-1-ethylsulfonylpiperidine has a molecular weight of 249.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butoxy-1-ethylsulfonylpiperidine is sourced from PubChem (CID 134556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).