4-butoxy-1-propan-2-ylsulfonylpiperidine

C12H25NO3S — CID 167136368

IUPAC4-butoxy-1-propan-2-ylsulfonylpiperidine
SMILESCCCCOC1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-4-5-10-16-12-6-8-13(9-7-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyIGUNOEMJWATJHD-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.01
Rot. Bonds6

About 4-butoxy-1-propan-2-ylsulfonylpiperidine

4-butoxy-1-propan-2-ylsulfonylpiperidine (PubChem CID 167136368) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-butoxy-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-butoxy-1-propan-2-ylsulfonylpiperidine
PubChem CID167136368
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-butoxy-1-propan-2-ylsulfonylpiperidine
SMILESCCCCOC1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-4-5-10-16-12-6-8-13(9-7-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyIGUNOEMJWATJHD-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.01
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 4-butoxy-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-butoxy-1-propan-2-ylsulfonylpiperidine (CID 167136368) is 4-butoxy-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-butoxy-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-butoxy-1-propan-2-ylsulfonylpiperidine is CCCCOC1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 4-butoxy-1-propan-2-ylsulfonylpiperidine?
The InChIKey is IGUNOEMJWATJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-5-10-16-12-6-8-13(9-7-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-butoxy-1-propan-2-ylsulfonylpiperidine?
4-butoxy-1-propan-2-ylsulfonylpiperidine has a molecular weight of 263.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 167136368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).