3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine

C12H18ClN3O2S — CID 64601329

IUPAC3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1(C)CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H18ClN3O2S/c1-12(2)4-3-5-16(8-12)19(17,18)9-6-10(13)11(14)15-7-9/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyUOHRXAFPFRCYDV-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.13
Rot. Bonds2

About 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine

3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64601329) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID64601329
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1(C)CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H18ClN3O2S/c1-12(2)4-3-5-16(8-12)19(17,18)9-6-10(13)11(14)15-7-9/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyUOHRXAFPFRCYDV-UHFFFAOYSA-N
XLogP2.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 64601329) is 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine is CC1(C)CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is UOHRXAFPFRCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-12(2)4-3-5-16(8-12)19(17,18)9-6-10(13)11(14)15-7-9/h6-7H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 303.81 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64601329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).