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

C11H14ClF3N4O2S — CID 156638662

IUPACN-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(N(Cl)c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14ClF3N4O2S/c1-22(20,21)18-4-2-9(3-5-18)19(12)10-16-6-8(7-17-10)11(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyNOZSBVTYVSKSKR-UHFFFAOYSA-N
MW358.77 g/mol
LogP1.88
Rot. Bonds3

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

N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 156638662) has the molecular formula C11H14ClF3N4O2S and a molecular weight of 358.77 g/mol. Its IUPAC name is N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID156638662
Molecular FormulaC11H14ClF3N4O2S
Molecular Weight358.77 g/mol
Exact Mass358.05
IUPAC NameN-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(N(Cl)c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14ClF3N4O2S/c1-22(20,21)18-4-2-9(3-5-18)19(12)10-16-6-8(7-17-10)11(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyNOZSBVTYVSKSKR-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 156638662) is N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is CS(=O)(=O)N1CCC(N(Cl)c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NOZSBVTYVSKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2S/c1-22(20,21)18-4-2-9(3-5-18)19(12)10-16-6-8(7-17-10)11(13,14)15/h6-7,9H,2-5H2,1H3.
What are the key properties of N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 358.77 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 156638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).