N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C14H15F3N4OS — CID 18158540

IUPACN-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-4-7-19-12(20-10)23-8-11(22)21-13(9-18)5-2-1-3-6-13/h4,7H,1-3,5-6,8H2,(H,21,22)
InChIKeyUGNDBUIUNHBAJH-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.93
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158540) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158540
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-4-7-19-12(20-10)23-8-11(22)21-13(9-18)5-2-1-3-6-13/h4,7H,1-3,5-6,8H2,(H,21,22)
InChIKeyUGNDBUIUNHBAJH-UHFFFAOYSA-N
XLogP2.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 4819460
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]acetamide
CID 172435050
N-cyclooctyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 33589657
N-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 45776025
N-cyclohexyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 47019972
N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158485
N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158487
N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158503
N-(2-methylcyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158506
N-(tert-butylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158510
N-carbamoyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 18158533

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158540) is N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is N#CC1(NC(=O)CSc2nccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is UGNDBUIUNHBAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)10-4-7-19-12(20-10)23-8-11(22)21-13(9-18)5-2-1-3-6-13/h4,7H,1-3,5-6,8H2,(H,21,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 344.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).