N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C15H19FN4O2S — CID 142582803

IUPACN-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3cccc(F)c23)C1
InChIInChI=1S/C15H19FN4O2S/c1-23(21,22)19-8-11-4-3-7-20(9-11)15-14-12(16)5-2-6-13(14)17-10-18-15/h2,5-6,10-11,19H,3-4,7-9H2,1H3
InChIKeyURKDUYYULDVGHS-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.53
Rot. Bonds4

About N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 142582803) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID142582803
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3cccc(F)c23)C1
InChIInChI=1S/C15H19FN4O2S/c1-23(21,22)19-8-11-4-3-7-20(9-11)15-14-12(16)5-2-6-13(14)17-10-18-15/h2,5-6,10-11,19H,3-4,7-9H2,1H3
InChIKeyURKDUYYULDVGHS-UHFFFAOYSA-N
XLogP1.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 142582803) is N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2ncnc3cccc(F)c23)C1.
What is the InChIKey of N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is URKDUYYULDVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-23(21,22)19-8-11-4-3-7-20(9-11)15-14-12(16)5-2-6-13(14)17-10-18-15/h2,5-6,10-11,19H,3-4,7-9H2,1H3.
What are the key properties of N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).