4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine

C16H31NOS — CID 130413952

IUPAC4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine
SMILESCCC1(CSC)C(N2CCOCC2)CC(C)C1(C)C
InChIInChI=1S/C16H31NOS/c1-6-16(12-19-5)14(11-13(2)15(16,3)4)17-7-9-18-10-8-17/h13-14H,6-12H2,1-5H3
InChIKeyKJNWPXJSPLDRQJ-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.51
Rot. Bonds4

About 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine

4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine (PubChem CID 130413952) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine
PubChem CID130413952
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine
SMILESCCC1(CSC)C(N2CCOCC2)CC(C)C1(C)C
InChIInChI=1S/C16H31NOS/c1-6-16(12-19-5)14(11-13(2)15(16,3)4)17-7-9-18-10-8-17/h13-14H,6-12H2,1-5H3
InChIKeyKJNWPXJSPLDRQJ-UHFFFAOYSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine?
The IUPAC name of 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine (CID 130413952) is 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine?
The canonical SMILES for 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine is CCC1(CSC)C(N2CCOCC2)CC(C)C1(C)C.
What is the InChIKey of 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine?
The InChIKey is KJNWPXJSPLDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-6-16(12-19-5)14(11-13(2)15(16,3)4)17-7-9-18-10-8-17/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine?
4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine has a molecular weight of 285.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3,3,4-trimethyl-2-(methylsulfanylmethyl)cyclopentyl]morpholine is sourced from PubChem (CID 130413952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).