N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide

C15H19FN4O2S — CID 126797158

IUPACN-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H19FN4O2S/c1-23(21,22)19-9-11-4-6-20(7-5-11)15-13-8-12(16)2-3-14(13)17-10-18-15/h2-3,8,10-11,19H,4-7,9H2,1H3
InChIKeyPUWLZMLDEDKUNW-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.53
Rot. Bonds4

About N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide

N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 126797158) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID126797158
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H19FN4O2S/c1-23(21,22)19-9-11-4-6-20(7-5-11)15-13-8-12(16)2-3-14(13)17-10-18-15/h2-3,8,10-11,19H,4-7,9H2,1H3
InChIKeyPUWLZMLDEDKUNW-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-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 126797158) is N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is PUWLZMLDEDKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-23(21,22)19-9-11-4-6-20(7-5-11)15-13-8-12(16)2-3-14(13)17-10-18-15/h2-3,8,10-11,19H,4-7,9H2,1H3.
What are the key properties of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-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-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126797158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).