1-(2-methylsulfinylethyl)piperidine

C8H17NOS — CID 66695248

IUPAC1-(2-methylsulfinylethyl)piperidine
SMILESCS(=O)CCN1CCCCC1
InChIInChI=1S/C8H17NOS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-8H2,1H3
InChIKeyGMRTVUNLIVMOFB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

About 1-(2-methylsulfinylethyl)piperidine

1-(2-methylsulfinylethyl)piperidine (PubChem CID 66695248) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(2-methylsulfinylethyl)piperidine.

Molecular Properties

Compound Name1-(2-methylsulfinylethyl)piperidine
PubChem CID66695248
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(2-methylsulfinylethyl)piperidine
SMILESCS(=O)CCN1CCCCC1
InChIInChI=1S/C8H17NOS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-8H2,1H3
InChIKeyGMRTVUNLIVMOFB-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
1-(2-methylsulfinylethyl)-1,4-diazepane
CID 84662880
3-methyl-1-(2-methylsulfinylethyl)piperidine
CID 170021335
2-piperidin-1-ylethanesulfinic acid
CID 59286125
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-(3-methylsulfinylpropyl)-1,4-diazepane
CID 84672724
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-(2-methoxyethyl)azocane
CID 47014834
3-(2-methylsulfinylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 131015156
2-(3-methylsulfinylpropyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 113488312
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethyl)piperidine?
The IUPAC name of 1-(2-methylsulfinylethyl)piperidine (CID 66695248) is 1-(2-methylsulfinylethyl)piperidine.
What is the SMILES notation for 1-(2-methylsulfinylethyl)piperidine?
The canonical SMILES for 1-(2-methylsulfinylethyl)piperidine is CS(=O)CCN1CCCCC1.
What is the InChIKey of 1-(2-methylsulfinylethyl)piperidine?
The InChIKey is GMRTVUNLIVMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(2-methylsulfinylethyl)piperidine?
1-(2-methylsulfinylethyl)piperidine has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethyl)piperidine is sourced from PubChem (CID 66695248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).