4-ethyl-1-methyl-6-methylsulfanylazocane

C11H23NS — CID 71090921

IUPAC4-ethyl-1-methyl-6-methylsulfanylazocane
SMILESCCC1CCN(C)CCC(SC)C1
InChIInChI=1S/C11H23NS/c1-4-10-5-7-12(2)8-6-11(9-10)13-3/h10-11H,4-9H2,1-3H3
InChIKeyDUTZWQPRXNRTLR-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds2

About 4-ethyl-1-methyl-6-methylsulfanylazocane

4-ethyl-1-methyl-6-methylsulfanylazocane (PubChem CID 71090921) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-ethyl-1-methyl-6-methylsulfanylazocane.

Molecular Properties

Compound Name4-ethyl-1-methyl-6-methylsulfanylazocane
PubChem CID71090921
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-ethyl-1-methyl-6-methylsulfanylazocane
SMILESCCC1CCN(C)CCC(SC)C1
InChIInChI=1S/C11H23NS/c1-4-10-5-7-12(2)8-6-11(9-10)13-3/h10-11H,4-9H2,1-3H3
InChIKeyDUTZWQPRXNRTLR-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-6-methylsulfanylazocane?
The IUPAC name of 4-ethyl-1-methyl-6-methylsulfanylazocane (CID 71090921) is 4-ethyl-1-methyl-6-methylsulfanylazocane.
What is the SMILES notation for 4-ethyl-1-methyl-6-methylsulfanylazocane?
The canonical SMILES for 4-ethyl-1-methyl-6-methylsulfanylazocane is CCC1CCN(C)CCC(SC)C1.
What is the InChIKey of 4-ethyl-1-methyl-6-methylsulfanylazocane?
The InChIKey is DUTZWQPRXNRTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-10-5-7-12(2)8-6-11(9-10)13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-1-methyl-6-methylsulfanylazocane?
4-ethyl-1-methyl-6-methylsulfanylazocane has a molecular weight of 201.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-6-methylsulfanylazocane is sourced from PubChem (CID 71090921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).