(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine

C8H18N2O3S — CID 130519310

IUPAC(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCOC1(CN)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O3S/c1-13-8(7-9)3-5-10(6-4-8)14(2,11)12/h3-7,9H2,1-2H3
InChIKeyPTAZOFDHRSTYAL-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds3

About (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine

(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine (PubChem CID 130519310) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
PubChem CID130519310
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCOC1(CN)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O3S/c1-13-8(7-9)3-5-10(6-4-8)14(2,11)12/h3-7,9H2,1-2H3
InChIKeyPTAZOFDHRSTYAL-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine (CID 130519310) is (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine is COC1(CN)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is PTAZOFDHRSTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-8(7-9)3-5-10(6-4-8)14(2,11)12/h3-7,9H2,1-2H3.
What are the key properties of (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine?
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 222.31 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 130519310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).