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

C11H24N2O3S — CID 79604534

IUPAC2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
SMILESCC(C)(CN)OCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O3S/c1-11(2,9-12)16-8-10-5-4-6-13(7-10)17(3,14)15/h10H,4-9,12H2,1-3H3
InChIKeyVTAKEFPOLZFLGQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.41
Rot. Bonds5

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

2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine (PubChem CID 79604534) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
PubChem CID79604534
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
SMILESCC(C)(CN)OCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O3S/c1-11(2,9-12)16-8-10-5-4-6-13(7-10)17(3,14)15/h10H,4-9,12H2,1-3H3
InChIKeyVTAKEFPOLZFLGQ-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
CID 79609995
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine?
The IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine (CID 79604534) is 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine is CC(C)(CN)OCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine?
The InChIKey is VTAKEFPOLZFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,9-12)16-8-10-5-4-6-13(7-10)17(3,14)15/h10H,4-9,12H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine?
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 79604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).