1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone

C10H19NOS — CID 42891834

IUPAC1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
SMILESCCC1CCCCN1C(=O)CSC
InChIInChI=1S/C10H19NOS/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h9H,3-8H2,1-2H3
InChIKeyYNPCEPMSDHUOHW-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone

1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone (PubChem CID 42891834) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
PubChem CID42891834
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
SMILESCCC1CCCCN1C(=O)CSC
InChIInChI=1S/C10H19NOS/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h9H,3-8H2,1-2H3
InChIKeyYNPCEPMSDHUOHW-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 66220336
2-(4-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 43299054
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone (CID 42891834) is 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone is CCC1CCCCN1C(=O)CSC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone?
The InChIKey is YNPCEPMSDHUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone?
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone has a molecular weight of 201.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 42891834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).