1-methyl-3-(methylsulfanylmethyl)piperidine

C8H17NS — CID 58701366

IUPAC1-methyl-3-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCCN(C)C1
InChIInChI=1S/C8H17NS/c1-9-5-3-4-8(6-9)7-10-2/h8H,3-7H2,1-2H3
InChIKeyUGAVNCUBCUIUDF-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-3-(methylsulfanylmethyl)piperidine

1-methyl-3-(methylsulfanylmethyl)piperidine (PubChem CID 58701366) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-methyl-3-(methylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(methylsulfanylmethyl)piperidine
PubChem CID58701366
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-methyl-3-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCCN(C)C1
InChIInChI=1S/C8H17NS/c1-9-5-3-4-8(6-9)7-10-2/h8H,3-7H2,1-2H3
InChIKeyUGAVNCUBCUIUDF-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
1-methyl-3-(propoxymethyl)piperidine
CID 148501632
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine
CID 169242079
3-(1-methylpiperidin-3-yl)propanal
CID 83905184

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylsulfanylmethyl)piperidine?
The IUPAC name of 1-methyl-3-(methylsulfanylmethyl)piperidine (CID 58701366) is 1-methyl-3-(methylsulfanylmethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(methylsulfanylmethyl)piperidine?
The canonical SMILES for 1-methyl-3-(methylsulfanylmethyl)piperidine is CSCC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(methylsulfanylmethyl)piperidine?
The InChIKey is UGAVNCUBCUIUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-5-3-4-8(6-9)7-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(methylsulfanylmethyl)piperidine?
1-methyl-3-(methylsulfanylmethyl)piperidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylsulfanylmethyl)piperidine is sourced from PubChem (CID 58701366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).