(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone

C12H21NO2S — CID 123361955

IUPAC(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone
SMILESCSC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H21NO2S/c1-16-11-4-2-10(3-5-11)12(14)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3
InChIKeyXFIFCPDTPFGXFS-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.77
Rot. Bonds2

About (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone

(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone (PubChem CID 123361955) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone
PubChem CID123361955
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone
SMILESCSC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H21NO2S/c1-16-11-4-2-10(3-5-11)12(14)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3
InChIKeyXFIFCPDTPFGXFS-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone (CID 123361955) is (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone is CSC1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone?
The InChIKey is XFIFCPDTPFGXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-16-11-4-2-10(3-5-11)12(14)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3.
What are the key properties of (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone?
(4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone has a molecular weight of 243.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylcyclohexyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123361955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).