3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine

C11H22N2O3S — CID 79610235

IUPAC3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(COC2CC(N)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)13-4-2-3-9(7-13)8-16-11-5-10(12)6-11/h9-11H,2-8,12H2,1H3
InChIKeyHAQWGPSWCGAPEE-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.16
Rot. Bonds4

About 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine

3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine (PubChem CID 79610235) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
PubChem CID79610235
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(COC2CC(N)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)13-4-2-3-9(7-13)8-16-11-5-10(12)6-11/h9-11H,2-8,12H2,1H3
InChIKeyHAQWGPSWCGAPEE-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
CID 79609995
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine (CID 79610235) is 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine is CS(=O)(=O)N1CCCC(COC2CC(N)C2)C1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine?
The InChIKey is HAQWGPSWCGAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(14,15)13-4-2-3-9(7-13)8-16-11-5-10(12)6-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine?
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 79610235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).