1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone

C12H22N2O2S — CID 155470122

IUPAC1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone
SMILESCSC1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2S/c1-17-11-2-4-14(5-3-11)12(15)10-13-6-8-16-9-7-13/h11H,2-10H2,1H3
InChIKeyJQBNLKNXSAVRQU-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.67
Rot. Bonds3

About 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone

1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone (PubChem CID 155470122) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone
PubChem CID155470122
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone
SMILESCSC1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2S/c1-17-11-2-4-14(5-3-11)12(15)10-13-6-8-16-9-7-13/h11H,2-10H2,1H3
InChIKeyJQBNLKNXSAVRQU-UHFFFAOYSA-N
XLogP0.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone (CID 155470122) is 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone is CSC1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone?
The InChIKey is JQBNLKNXSAVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-17-11-2-4-14(5-3-11)12(15)10-13-6-8-16-9-7-13/h11H,2-10H2,1H3.
What are the key properties of 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone?
1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone has a molecular weight of 258.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 155470122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).