N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide

C15H33FN2O2S — CID 88980564

IUPACN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCF)CCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H33FN2O2S/c1-13(14(2,3)4)17(10-9-16)11-12-18(15(5,6)7)21(8,19)20/h13H,9-12H2,1-8H3
InChIKeyOXDSFWZZFNJTQP-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.75
Rot. Bonds7

About N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide

N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide (PubChem CID 88980564) has the molecular formula C15H33FN2O2S and a molecular weight of 324.51 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide
PubChem CID88980564
Molecular FormulaC15H33FN2O2S
Molecular Weight324.51 g/mol
Exact Mass324.22
IUPAC NameN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCF)CCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H33FN2O2S/c1-13(14(2,3)4)17(10-9-16)11-12-18(15(5,6)7)21(8,19)20/h13H,9-12H2,1-8H3
InChIKeyOXDSFWZZFNJTQP-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
CID 70799734
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70938622
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
CID 88980557
N-tert-butyl-N-[2-[2,2-difluoroethyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
CID 88980569
N-tert-butyl-N-[2-[[(2S)-3,3-dimethylbutan-2-yl]-(2-fluoroethyl)amino]ethyl]methanesulfonamide
CID 88980790
N-tert-butyl-N-[2-[2,2-difluoroethyl-[(2S)-3,3-dimethylbutan-2-yl]amino]ethyl]methanesulfonamide
CID 88980791
N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide
CID 88991704
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(trifluoromethyl)amino]ethyl]methanesulfonamide
CID 89118218
N-tert-butyl-N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 89118219
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-(2-fluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 89118220
N'-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-(2-fluoroethyl)-N'-(methyl-methylidene-oxo-lambda6-sulfanyl)ethane-1,2-diamine
CID 157331445
N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
CID 70799425

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide (CID 88980564) is N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide is CC(N(CCF)CCN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide?
The InChIKey is OXDSFWZZFNJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33FN2O2S/c1-13(14(2,3)4)17(10-9-16)11-12-18(15(5,6)7)21(8,19)20/h13H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide?
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide has a molecular weight of 324.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 88980564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).