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

C16H23FN6O2S — CID 91814143

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H23FN6O2S/c1-12(2)23-10-15(20-11-23)26(24,25)21-7-13-3-5-22(6-4-13)16-18-8-14(17)9-19-16/h8-13,21H,3-7H2,1-2H3
InChIKeyHBCSDYFJMTVDAJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.59
Rot. Bonds6

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

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 91814143) has the molecular formula C16H23FN6O2S and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID91814143
Molecular FormulaC16H23FN6O2S
Molecular Weight382.47 g/mol
Exact Mass382.16
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H23FN6O2S/c1-12(2)23-10-15(20-11-23)26(24,25)21-7-13-3-5-22(6-4-13)16-18-8-14(17)9-19-16/h8-13,21H,3-7H2,1-2H3
InChIKeyHBCSDYFJMTVDAJ-UHFFFAOYSA-N
XLogP1.59
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.59
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-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 91814143) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is HBCSDYFJMTVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O2S/c1-12(2)23-10-15(20-11-23)26(24,25)21-7-13-3-5-22(6-4-13)16-18-8-14(17)9-19-16/h8-13,21H,3-7H2,1-2H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 382.47 g/mol, XLogP of 1.59, 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-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 91814143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).