N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

C11H16FN3O3S — CID 90634486

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3O3S/c1-19(16,17)15-9-2-4-10(5-3-9)18-11-13-6-8(12)7-14-11/h6-7,9-10,15H,2-5H2,1H3
InChIKeySLGPPXGIDQAVCN-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.85
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (PubChem CID 90634486) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
PubChem CID90634486
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3O3S/c1-19(16,17)15-9-2-4-10(5-3-9)18-11-13-6-8(12)7-14-11/h6-7,9-10,15H,2-5H2,1H3
InChIKeySLGPPXGIDQAVCN-UHFFFAOYSA-N
XLogP0.85
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (CID 90634486) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The InChIKey is SLGPPXGIDQAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-19(16,17)15-9-2-4-10(5-3-9)18-11-13-6-8(12)7-14-11/h6-7,9-10,15H,2-5H2,1H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is sourced from PubChem (CID 90634486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).