1-[3-(3-methylbutylsulfonyl)propyl]piperidine

C13H27NO2S — CID 18965292

IUPAC1-[3-(3-methylbutylsulfonyl)propyl]piperidine
SMILESCC(C)CCS(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C13H27NO2S/c1-13(2)7-12-17(15,16)11-6-10-14-8-4-3-5-9-14/h13H,3-12H2,1-2H3
InChIKeyAFWPTOLRDCJIFR-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.32
Rot. Bonds7

About 1-[3-(3-methylbutylsulfonyl)propyl]piperidine

1-[3-(3-methylbutylsulfonyl)propyl]piperidine (PubChem CID 18965292) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-[3-(3-methylbutylsulfonyl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-methylbutylsulfonyl)propyl]piperidine
PubChem CID18965292
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-[3-(3-methylbutylsulfonyl)propyl]piperidine
SMILESCC(C)CCS(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C13H27NO2S/c1-13(2)7-12-17(15,16)11-6-10-14-8-4-3-5-9-14/h13H,3-12H2,1-2H3
InChIKeyAFWPTOLRDCJIFR-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
CID 3832716
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
1-[(1,1-Dioxidotetrahydro-3-thienyl)sulfonyl]-4-methylpiperidine
CID 20995137
(3S)-3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
CID 42335908
4-(Cyclopropylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71916738
1-(2-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 84592132
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
1-Ethylsulfonyl-3-methylpiperidine
CID 303056
1-Ethylsulfonyl-4-methylpiperidine
CID 303058

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylbutylsulfonyl)propyl]piperidine?
The IUPAC name of 1-[3-(3-methylbutylsulfonyl)propyl]piperidine (CID 18965292) is 1-[3-(3-methylbutylsulfonyl)propyl]piperidine.
What is the SMILES notation for 1-[3-(3-methylbutylsulfonyl)propyl]piperidine?
The canonical SMILES for 1-[3-(3-methylbutylsulfonyl)propyl]piperidine is CC(C)CCS(=O)(=O)CCCN1CCCCC1.
What is the InChIKey of 1-[3-(3-methylbutylsulfonyl)propyl]piperidine?
The InChIKey is AFWPTOLRDCJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-13(2)7-12-17(15,16)11-6-10-14-8-4-3-5-9-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-[3-(3-methylbutylsulfonyl)propyl]piperidine?
1-[3-(3-methylbutylsulfonyl)propyl]piperidine has a molecular weight of 261.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylbutylsulfonyl)propyl]piperidine is sourced from PubChem (CID 18965292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).