N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide

C14H17FN4O2S — CID 142582682

IUPACN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C14H17FN4O2S/c1-22(20,21)18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyNBSRZVMGQGOYLY-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 142582682) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID142582682
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C14H17FN4O2S/c1-22(20,21)18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyNBSRZVMGQGOYLY-UHFFFAOYSA-N
XLogP1.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
6-chloro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-fluoro-7-isocyano-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-isocyano-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;N-[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methanesulfonamide;6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline
CID 163643142
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]carbamate;[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanamine;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;methanesulfonyl chloride;hydrochloride
CID 158804492
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide (CID 142582682) is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is NBSRZVMGQGOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-22(20,21)18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3.
What are the key properties of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.29, 3 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-3-yl]methanesulfonamide is sourced from PubChem (CID 142582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).