3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine

C12H18ClN3O3S — CID 64599969

IUPAC3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-19-8-9-2-4-16(5-3-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyXEQVVJLCDDJLSD-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.36
Rot. Bonds4

About 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine

3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 64599969) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID64599969
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-19-8-9-2-4-16(5-3-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyXEQVVJLCDDJLSD-UHFFFAOYSA-N
XLogP1.36
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine (CID 64599969) is 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine is COCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is XEQVVJLCDDJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-19-8-9-2-4-16(5-3-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 319.81 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 64599969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).