4-methylsulfanyl-1-morpholin-4-ylpentan-1-one

C10H19NO2S — CID 167146370

IUPAC4-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESCSC(C)CCC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-9(14-2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyQKXIRFQIGFOUIR-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds4

About 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one

4-methylsulfanyl-1-morpholin-4-ylpentan-1-one (PubChem CID 167146370) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name4-methylsulfanyl-1-morpholin-4-ylpentan-1-one
PubChem CID167146370
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESCSC(C)CCC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-9(14-2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3
InChIKeyQKXIRFQIGFOUIR-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one (CID 167146370) is 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one is CSC(C)CCC(=O)N1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is QKXIRFQIGFOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(14-2)3-4-10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
4-methylsulfanyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 217.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 167146370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).