1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride

C16H26ClNOS — CID 21391047

IUPAC1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride
SMILESCCCCC(N1CCCCC1)S(=O)c1ccccc1.Cl
InChIInChI=1S/C16H25NOS.ClH/c1-2-3-12-16(17-13-8-5-9-14-17)19(18)15-10-6-4-7-11-15;/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;1H
InChIKeyNLUAXGKLGWIUEY-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.22
Rot. Bonds6

About 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride

1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride (PubChem CID 21391047) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride
PubChem CID21391047
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride
SMILESCCCCC(N1CCCCC1)S(=O)c1ccccc1.Cl
InChIInChI=1S/C16H25NOS.ClH/c1-2-3-12-16(17-13-8-5-9-14-17)19(18)15-10-6-4-7-11-15;/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;1H
InChIKeyNLUAXGKLGWIUEY-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylsulfanylpentyl)piperidine
CID 21391029
1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
CID 54602375
1-fluorobutylsulfinylbenzene
CID 10954577
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
1-phenyl-3-(3-piperidin-1-yloctoxy)propan-1-one
CID 54538092
1-octan-4-ylazonane
CID 123427772
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
1-(1-phenylpentylsulfinyl)pentylbenzene
CID 118387967
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
[1-[1-(benzenesulfinyl)butyl]-2-methylindol-3-yl]-phenylmethanone
CID 70526149

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride?
The IUPAC name of 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride (CID 21391047) is 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride is CCCCC(N1CCCCC1)S(=O)c1ccccc1.Cl.
What is the InChIKey of 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride?
The InChIKey is NLUAXGKLGWIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS.ClH/c1-2-3-12-16(17-13-8-5-9-14-17)19(18)15-10-6-4-7-11-15;/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;1H.
What are the key properties of 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride?
1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride has a molecular weight of 315.91 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfinyl)pentyl]piperidine;hydrochloride is sourced from PubChem (CID 21391047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).