3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine

C11H16ClN3O3S — CID 64600878

IUPAC3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCC1(C)CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCO1
InChIInChI=1S/C11H16ClN3O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyKUYIZTRPDUUEMY-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.12
Rot. Bonds2

About 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine

3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine (PubChem CID 64600878) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine
PubChem CID64600878
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCC1(C)CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCO1
InChIInChI=1S/C11H16ClN3O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyKUYIZTRPDUUEMY-UHFFFAOYSA-N
XLogP1.12
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine (CID 64600878) is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine is CC1(C)CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCO1.
What is the InChIKey of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The InChIKey is KUYIZTRPDUUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine?
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64600878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).