N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide

C18H26F6N4O3S — CID 88878886

IUPACN-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(C[C@H]1CCCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O
InChIInChI=1S/C18H26F6N4O3S/c1-12(2)10-27(32(3,30)31)11-14-6-4-5-7-28(14)15-25-8-13(9-26-15)16(29,17(19,20)21)18(22,23)24/h8-9,12,14,29H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyUPZZFDZHFJICOE-CQSZACIVSA-N
MW492.49 g/mol
LogP3.07
Rot. Bonds7

About N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide

N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 88878886) has the molecular formula C18H26F6N4O3S and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID88878886
Molecular FormulaC18H26F6N4O3S
Molecular Weight492.49 g/mol
Exact Mass492.16
IUPAC NameN-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(C[C@H]1CCCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O
InChIInChI=1S/C18H26F6N4O3S/c1-12(2)10-27(32(3,30)31)11-14-6-4-5-7-28(14)15-25-8-13(9-26-15)16(29,17(19,20)21)18(22,23)24/h8-9,12,14,29H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyUPZZFDZHFJICOE-CQSZACIVSA-N
XLogP3.07
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-4-(5-aminothiophen-2-yl)sulfonyl-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperazin-2-yl]methyl]-N-phenylmethanesulfonamide
CID 86670409
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 104606614
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
N-(2-methylpropyl)-N-[[(2S)-4-thiophen-2-ylsulfonyl-1-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]piperazin-2-yl]methyl]methanesulfonamide
CID 66583177
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
1,1,1,3,3,3-hexafluoro-2-[2-[(2S)-2-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]propan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 87058337
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
CID 116976841
1,1,1,3,3,3-hexafluoro-2-[2-[2-[(3-methylmorpholin-4-yl)methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
CID 87058309

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide (CID 88878886) is N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(C[C@H]1CCCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O.
What is the InChIKey of N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is UPZZFDZHFJICOE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26F6N4O3S/c1-12(2)10-27(32(3,30)31)11-14-6-4-5-7-28(14)15-25-8-13(9-26-15)16(29,17(19,20)21)18(22,23)24/h8-9,12,14,29H,4-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide?
N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 492.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperidin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 88878886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).