2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine

C11H22N2O2S — CID 81014911

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2CCC2N)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-10-4-5-11(10)12/h9-11H,2-8,12H2,1H3
InChIKeyCLWJYPDXNQJZFE-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.79
Rot. Bonds3

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine

2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 81014911) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID81014911
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2CCC2N)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-10-4-5-11(10)12/h9-11H,2-8,12H2,1H3
InChIKeyCLWJYPDXNQJZFE-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 81033463
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 79610709
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohept-2-en-1-amine
CID 107383254

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine (CID 81014911) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine is CS(=O)(=O)N1CCCC(CC2CCC2N)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is CLWJYPDXNQJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13-6-2-3-9(8-13)7-10-4-5-11(10)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine?
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).