1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

C13H23NO4S — CID 116707033

IUPAC1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCOC1(C(=O)CC2CCCN(S(C)(=O)=O)C2)CCC1
InChIInChI=1S/C13H23NO4S/c1-18-13(6-4-7-13)12(15)9-11-5-3-8-14(10-11)19(2,16)17/h11H,3-10H2,1-2H3
InChIKeyCUHVJDIWNRDZIE-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.19
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 116707033) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID116707033
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCOC1(C(=O)CC2CCCN(S(C)(=O)=O)C2)CCC1
InChIInChI=1S/C13H23NO4S/c1-18-13(6-4-7-13)12(15)9-11-5-3-8-14(10-11)19(2,16)17/h11H,3-10H2,1-2H3
InChIKeyCUHVJDIWNRDZIE-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
CID 104610038
1-(4,4-dimethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 79609547
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
1-(2,2-dimethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107187239
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 116707033) is 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is COC1(C(=O)CC2CCCN(S(C)(=O)=O)C2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is CUHVJDIWNRDZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-18-13(6-4-7-13)12(15)9-11-5-3-8-14(10-11)19(2,16)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116707033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).