4-ethyl-4-(methylsulfanylmethyl)piperidine

C9H19NS — CID 123688528

IUPAC4-ethyl-4-(methylsulfanylmethyl)piperidine
SMILESCCC1(CSC)CCNCC1
InChIInChI=1S/C9H19NS/c1-3-9(8-11-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3
InChIKeyRUMSZXCKIGMZLD-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds3

About 4-ethyl-4-(methylsulfanylmethyl)piperidine

4-ethyl-4-(methylsulfanylmethyl)piperidine (PubChem CID 123688528) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-ethyl-4-(methylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-ethyl-4-(methylsulfanylmethyl)piperidine
PubChem CID123688528
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-ethyl-4-(methylsulfanylmethyl)piperidine
SMILESCCC1(CSC)CCNCC1
InChIInChI=1S/C9H19NS/c1-3-9(8-11-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3
InChIKeyRUMSZXCKIGMZLD-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(methylsulfanylmethyl)piperidine?
The IUPAC name of 4-ethyl-4-(methylsulfanylmethyl)piperidine (CID 123688528) is 4-ethyl-4-(methylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-ethyl-4-(methylsulfanylmethyl)piperidine?
The canonical SMILES for 4-ethyl-4-(methylsulfanylmethyl)piperidine is CCC1(CSC)CCNCC1.
What is the InChIKey of 4-ethyl-4-(methylsulfanylmethyl)piperidine?
The InChIKey is RUMSZXCKIGMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-9(8-11-2)4-6-10-7-5-9/h10H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-4-(methylsulfanylmethyl)piperidine?
4-ethyl-4-(methylsulfanylmethyl)piperidine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(methylsulfanylmethyl)piperidine is sourced from PubChem (CID 123688528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).