N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide

C8H11F3N4O2S — CID 36723270

IUPACN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2S/c1-18(16,17)14-5-4-13-7-12-3-2-6(15-7)8(9,10)11/h2-3,14H,4-5H2,1H3,(H,12,13,15)
InChIKeyCDZAYAYVWJEGKD-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.46
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide

N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 36723270) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide
PubChem CID36723270
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2S/c1-18(16,17)14-5-4-13-7-12-3-2-6(15-7)8(9,10)11/h2-3,14H,4-5H2,1H3,(H,12,13,15)
InChIKeyCDZAYAYVWJEGKD-UHFFFAOYSA-N
XLogP0.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide (CID 36723270) is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is CDZAYAYVWJEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c1-18(16,17)14-5-4-13-7-12-3-2-6(15-7)8(9,10)11/h2-3,14H,4-5H2,1H3,(H,12,13,15).
What are the key properties of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 36723270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).