N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C17H25FN6O2S — CID 91814144

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)cn1C
InChIInChI=1S/C17H25FN6O2S/c1-12(2)16-22-15(11-23(16)3)27(25,26)21-8-13-4-6-24(7-5-13)17-19-9-14(18)10-20-17/h9-13,21H,4-8H2,1-3H3
InChIKeyRKTPRGAFBTWXMT-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.67
Rot. Bonds6

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 91814144) has the molecular formula C17H25FN6O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID91814144
Molecular FormulaC17H25FN6O2S
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)cn1C
InChIInChI=1S/C17H25FN6O2S/c1-12(2)16-22-15(11-23(16)3)27(25,26)21-8-13-4-6-24(7-5-13)17-19-9-14(18)10-20-17/h9-13,21H,4-8H2,1-3H3
InChIKeyRKTPRGAFBTWXMT-UHFFFAOYSA-N
XLogP1.67
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 91814144) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)cn1C.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is RKTPRGAFBTWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O2S/c1-12(2)16-22-15(11-23(16)3)27(25,26)21-8-13-4-6-24(7-5-13)17-19-9-14(18)10-20-17/h9-13,21H,4-8H2,1-3H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 396.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 91814144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).