1,3-dimethyl-5-methylsulfanylpiperidine

C8H17NS — CID 123831026

IUPAC1,3-dimethyl-5-methylsulfanylpiperidine
SMILESCSC1CC(C)CN(C)C1
InChIInChI=1S/C8H17NS/c1-7-4-8(10-3)6-9(2)5-7/h7-8H,4-6H2,1-3H3
InChIKeyURVTXGQDQPGNEQ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds1

About 1,3-dimethyl-5-methylsulfanylpiperidine

1,3-dimethyl-5-methylsulfanylpiperidine (PubChem CID 123831026) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylsulfanylpiperidine.

Molecular Properties

Compound Name1,3-dimethyl-5-methylsulfanylpiperidine
PubChem CID123831026
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1,3-dimethyl-5-methylsulfanylpiperidine
SMILESCSC1CC(C)CN(C)C1
InChIInChI=1S/C8H17NS/c1-7-4-8(10-3)6-9(2)5-7/h7-8H,4-6H2,1-3H3
InChIKeyURVTXGQDQPGNEQ-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
(1-Methylpiperidin-3-yl)methanethiol
CID 13452607
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
1-(2-Propylsulfanylethynyl)piperidine
CID 13302075
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
1-(2-Propan-2-ylsulfanylethynyl)piperidine
CID 134921082
1-(2-Butylsulfanylethynyl)piperidine
CID 134987591
4-(2-Methylpentyl)thiomorpholine
CID 134994483
1-Methyl-1-(3-(methylthio)propyl)piperidinium iodide
CID 3030714
3-Fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
CID 126995983
4,4-Difluoro-3-methyl-1-(2-methylsulfanylethyl)piperidine
CID 128444034
(r,s)-3-Ethylsulfanyl-1-methyl-piperidine
CID 15063102

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylsulfanylpiperidine?
The IUPAC name of 1,3-dimethyl-5-methylsulfanylpiperidine (CID 123831026) is 1,3-dimethyl-5-methylsulfanylpiperidine.
What is the SMILES notation for 1,3-dimethyl-5-methylsulfanylpiperidine?
The canonical SMILES for 1,3-dimethyl-5-methylsulfanylpiperidine is CSC1CC(C)CN(C)C1.
What is the InChIKey of 1,3-dimethyl-5-methylsulfanylpiperidine?
The InChIKey is URVTXGQDQPGNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7-4-8(10-3)6-9(2)5-7/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-methylsulfanylpiperidine?
1,3-dimethyl-5-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylsulfanylpiperidine is sourced from PubChem (CID 123831026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).