3-ethyl-5-methyl-4-propan-2-ylthiomorpholine

C10H21NS — CID 146188764

IUPAC3-ethyl-5-methyl-4-propan-2-ylthiomorpholine
SMILESCCC1CSCC(C)N1C(C)C
InChIInChI=1S/C10H21NS/c1-5-10-7-12-6-9(4)11(10)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXBSLHQLHFKAFRE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds2

About 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine

3-ethyl-5-methyl-4-propan-2-ylthiomorpholine (PubChem CID 146188764) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-propan-2-ylthiomorpholine
PubChem CID146188764
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-ethyl-5-methyl-4-propan-2-ylthiomorpholine
SMILESCCC1CSCC(C)N1C(C)C
InChIInChI=1S/C10H21NS/c1-5-10-7-12-6-9(4)11(10)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXBSLHQLHFKAFRE-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine?
The IUPAC name of 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine (CID 146188764) is 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine?
The canonical SMILES for 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine is CCC1CSCC(C)N1C(C)C.
What is the InChIKey of 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine?
The InChIKey is XBSLHQLHFKAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10-7-12-6-9(4)11(10)8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine?
3-ethyl-5-methyl-4-propan-2-ylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 146188764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).