(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine

C12H25NO3S — CID 134558375

IUPAC(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C12H25NO3S/c1-4-5-9-16-12-7-6-8-13(10-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLXSJWOAVJSKUOW-GFCCVEGCSA-N
MW263.40 g/mol
LogP2.01
Rot. Bonds6

About (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine

(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine (PubChem CID 134558375) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine
PubChem CID134558375
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C12H25NO3S/c1-4-5-9-16-12-7-6-8-13(10-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLXSJWOAVJSKUOW-GFCCVEGCSA-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'}

Analyze (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine (CID 134558375) is (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine is CCCCO[C@@H]1CCCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine?
The InChIKey is LXSJWOAVJSKUOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-5-9-16-12-7-6-8-13(10-12)17(14,15)11(2)3/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine?
(3R)-3-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 (3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 134558375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).