N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane

C59H102ClF9N12O10S3 — CID 165097146

About N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane

N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane (PubChem CID 165097146) has the molecular formula C59H102ClF9N12O10S3 and a molecular weight of 1442.17 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane.

Molecular Properties

• Compound Name: N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
• PubChem CID: 165097146
• Molecular Formula: C59H102ClF9N12O10S3
• Molecular Weight: 1442.17 g/mol
• Exact Mass: 1440.65
• IUPAC Name: N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
• SMILES: C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC(CCN)C1.CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(=O)(=O)C(F)(F)F)C3)c2cc1C.O=S(=O)(NCCC1CNC1)C(F)(F)F
• InChI: InChI=1S/C16H19F3N4O2S.C11H19F3N2O4S.C10H9ClN2.C10H20N2O2.C6H11F3N2O2S.6CH4/c1-10-5-13-14(6-11(10)2)20-9-21-15(13)23-7-12(8-23)3-4-22-26(24,25)16(17,18)19;1-10(2,3)20-9(17)16-6-8(7-16)4-5-15-21(18,19)11(12,13)14;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-10(2,3)14-9(13)12-6-8(7-12)4-5-11;7-6(8,9)14(12,13)11-2-1-5-3-10-4-5;;;;;;/h5-6,9,12,22H,3-4,7-8H2,1-2H3;8,15H,4-7H2,1-3H3;3-5H,1-2H3;8H,4-7,11H2,1-3H3;5,10-11H,1-4H2;6*1H4
• InChIKey: XRVIGOGVLQEENL-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 290.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.17
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane?

The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane (CID 165097146) is N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane.

What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane?

The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane is C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC(CCN)C1.CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(=O)(=O)C(F)(F)F)C3)c2cc1C.O=S(=O)(NCCC1CNC1)C(F)(F)F.

What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane?

The InChIKey is XRVIGOGVLQEENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S.C11H19F3N2O4S.C10H9ClN2.C10H20N2O2.C6H11F3N2O2S.6CH4/c1-10-5-13-14(6-11(10)2)20-9-21-15(13)23-7-12(8-23)3-4-22-26(24,25)16(17,18)19;1-10(2,3)20-9(17)16-6-8(7-16)4-5-15-21(18,19)11(12,13)14;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-10(2,3)14-9(13)12-6-8(7-12)4-5-11;7-6(8,9)14(12,13)11-2-1-5-3-10-4-5;;;;;;/h5-6,9,12,22H,3-4,7-8H2,1-2H3;8,15H,4-7H2,1-3H3;3-5H,1-2H3;8H,4-7,11H2,1-3H3;5,10-11H,1-4H2;6*1H4.

What are the key properties of N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane?

N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane has a molecular weight of 1442.17 g/mol, XLogP of 12.15, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane is sourced from PubChem (CID 165097146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).