(3R)-3-butoxy-1-methylsulfonylpiperidine

C10H21NO3S — CID 134553424

IUPAC(3R)-3-butoxy-1-methylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-4-8-14-10-6-5-7-11(9-10)15(2,12)13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyUOFJWUYZZWBXTK-SNVBAGLBSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds5

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

(3R)-3-butoxy-1-methylsulfonylpiperidine (PubChem CID 134553424) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (3R)-3-butoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-butoxy-1-methylsulfonylpiperidine
PubChem CID134553424
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(3R)-3-butoxy-1-methylsulfonylpiperidine
SMILESCCCCO[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-4-8-14-10-6-5-7-11(9-10)15(2,12)13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyUOFJWUYZZWBXTK-SNVBAGLBSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
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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Related Compounds

1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
CID 54989669
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
butoxycyclobutane
CID 54057236
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
4-butoxy-1,8-diazabicyclo[6.1.0]nonane
CID 69083810
N-benzyl-3-(1-methylsulfonylpiperidin-3-yl)oxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 126646616
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butoxy-1-methylsulfonylpiperidine?
The IUPAC name of (3R)-3-butoxy-1-methylsulfonylpiperidine (CID 134553424) is (3R)-3-butoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-butoxy-1-methylsulfonylpiperidine?
The canonical SMILES for (3R)-3-butoxy-1-methylsulfonylpiperidine is CCCCO[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-3-butoxy-1-methylsulfonylpiperidine?
The InChIKey is UOFJWUYZZWBXTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-8-14-10-6-5-7-11(9-10)15(2,12)13/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-butoxy-1-methylsulfonylpiperidine?
(3R)-3-butoxy-1-methylsulfonylpiperidine has a molecular weight of 235.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 134553424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).