3-methyl-1-(2-methylsulfinylethyl)piperidine

C9H19NOS — CID 170021335

IUPAC3-methyl-1-(2-methylsulfinylethyl)piperidine
SMILESCC1CCCN(CCS(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-9-4-3-5-10(8-9)6-7-12(2)11/h9H,3-8H2,1-2H3
InChIKeyQUHXBEOCDKPVQP-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.10
Rot. Bonds3

About 3-methyl-1-(2-methylsulfinylethyl)piperidine

3-methyl-1-(2-methylsulfinylethyl)piperidine (PubChem CID 170021335) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfinylethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfinylethyl)piperidine
PubChem CID170021335
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-methyl-1-(2-methylsulfinylethyl)piperidine
SMILESCC1CCCN(CCS(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-9-4-3-5-10(8-9)6-7-12(2)11/h9H,3-8H2,1-2H3
InChIKeyQUHXBEOCDKPVQP-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
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1-(3,3-difluoropropyl)-3-methylpiperidine
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3-methyl-1-(3,3,3-trifluoropropyl)piperidine
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3-(2-methylsulfinylethyl)-3,9-diazabicyclo[4.2.1]nonane
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ethane;1-ethyl-3-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylsulfinylethyl)piperidine?
The IUPAC name of 3-methyl-1-(2-methylsulfinylethyl)piperidine (CID 170021335) is 3-methyl-1-(2-methylsulfinylethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(2-methylsulfinylethyl)piperidine?
The canonical SMILES for 3-methyl-1-(2-methylsulfinylethyl)piperidine is CC1CCCN(CCS(C)=O)C1.
What is the InChIKey of 3-methyl-1-(2-methylsulfinylethyl)piperidine?
The InChIKey is QUHXBEOCDKPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9-4-3-5-10(8-9)6-7-12(2)11/h9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylsulfinylethyl)piperidine?
3-methyl-1-(2-methylsulfinylethyl)piperidine has a molecular weight of 189.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylsulfinylethyl)piperidine is sourced from PubChem (CID 170021335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).