N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine

C14H23F3N4O2SSn — CID 171468969

IUPACN-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c([Sn](C)(C)C)n2)CC1
InChIInChI=1S/C11H14F3N4O2S.3CH3.Sn/c1-21(19,20)18-4-2-9(3-5-18)17-10-15-6-8(7-16-10)11(12,13)14;;;;/h6,9H,2-5H2,1H3,(H,15,16,17);3*1H3;
InChIKeyZBFVWAGVSGEBAV-UHFFFAOYSA-N
MW487.14 g/mol
LogP1.88
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine

N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine (PubChem CID 171468969) has the molecular formula C14H23F3N4O2SSn and a molecular weight of 487.14 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
PubChem CID171468969
Molecular FormulaC14H23F3N4O2SSn
Molecular Weight487.14 g/mol
Exact Mass488.05
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c([Sn](C)(C)C)n2)CC1
InChIInChI=1S/C11H14F3N4O2S.3CH3.Sn/c1-21(19,20)18-4-2-9(3-5-18)17-10-15-6-8(7-16-10)11(12,13)14;;;;/h6,9H,2-5H2,1H3,(H,15,16,17);3*1H3;
InChIKeyZBFVWAGVSGEBAV-UHFFFAOYSA-N
XLogP1.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine (CID 171468969) is N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c([Sn](C)(C)C)n2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine?
The InChIKey is ZBFVWAGVSGEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N4O2S.3CH3.Sn/c1-21(19,20)18-4-2-9(3-5-18)17-10-15-6-8(7-16-10)11(12,13)14;;;;/h6,9H,2-5H2,1H3,(H,15,16,17);3*1H3;.
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine?
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine has a molecular weight of 487.14 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine is sourced from PubChem (CID 171468969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).