3-methoxy-1-methylsulfonylpiperidin-4-amine

C7H16N2O3S — CID 21070645

IUPAC3-methoxy-1-methylsulfonylpiperidin-4-amine
SMILESCOC1CN(S(C)(=O)=O)CCC1N
InChIInChI=1S/C7H16N2O3S/c1-12-7-5-9(13(2,10)11)4-3-6(7)8/h6-7H,3-5,8H2,1-2H3
InChIKeyQKDKOHNYILGUFG-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.01
Rot. Bonds2

About 3-methoxy-1-methylsulfonylpiperidin-4-amine

3-methoxy-1-methylsulfonylpiperidin-4-amine (PubChem CID 21070645) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-methoxy-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1-methylsulfonylpiperidin-4-amine
PubChem CID21070645
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-methoxy-1-methylsulfonylpiperidin-4-amine
SMILESCOC1CN(S(C)(=O)=O)CCC1N
InChIInChI=1S/C7H16N2O3S/c1-12-7-5-9(13(2,10)11)4-3-6(7)8/h6-7H,3-5,8H2,1-2H3
InChIKeyQKDKOHNYILGUFG-UHFFFAOYSA-N
XLogP-1.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of 3-methoxy-1-methylsulfonylpiperidin-4-amine (CID 21070645) is 3-methoxy-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3-methoxy-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for 3-methoxy-1-methylsulfonylpiperidin-4-amine is COC1CN(S(C)(=O)=O)CCC1N.
What is the InChIKey of 3-methoxy-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QKDKOHNYILGUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-12-7-5-9(13(2,10)11)4-3-6(7)8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3-methoxy-1-methylsulfonylpiperidin-4-amine?
3-methoxy-1-methylsulfonylpiperidin-4-amine has a molecular weight of 208.28 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 21070645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).