[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine

C10H22N2O4S — CID 112622474

IUPAC[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(OC)CC1CN
InChIInChI=1S/C10H22N2O4S/c1-15-5-6-17(13,14)12-4-3-10(16-2)7-9(12)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyWFZSJSIXRVAXKL-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.60
Rot. Bonds6

About [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine

[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 112622474) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
PubChem CID112622474
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(OC)CC1CN
InChIInChI=1S/C10H22N2O4S/c1-15-5-6-17(13,14)12-4-3-10(16-2)7-9(12)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyWFZSJSIXRVAXKL-UHFFFAOYSA-N
XLogP-0.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine (CID 112622474) is [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine is COCCS(=O)(=O)N1CCC(OC)CC1CN.
What is the InChIKey of [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is WFZSJSIXRVAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-15-5-6-17(13,14)12-4-3-10(16-2)7-9(12)8-11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 266.36 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).