N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide

C13H28FNO3S — CID 88980561

IUPACN-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
SMILESCC(C)(C)C(CF)OCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H28FNO3S/c1-12(2,3)11(10-14)18-9-8-15(13(4,5)6)19(7,16)17/h11H,8-10H2,1-7H3
InChIKeyLDSHTKOBOKCGMR-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.45
Rot. Bonds6

About N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide

N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide (PubChem CID 88980561) has the molecular formula C13H28FNO3S and a molecular weight of 297.44 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
PubChem CID88980561
Molecular FormulaC13H28FNO3S
Molecular Weight297.44 g/mol
Exact Mass297.18
IUPAC NameN-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
SMILESCC(C)(C)C(CF)OCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H28FNO3S/c1-12(2,3)11(10-14)18-9-8-15(13(4,5)6)19(7,16)17/h11H,8-10H2,1-7H3
InChIKeyLDSHTKOBOKCGMR-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate
CID 88980556
N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
CID 88980763
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
CID 113068070
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
CID 70799435
2-[(3R)-2,2-dimethylhexan-3-yl]oxy-N,N-dimethylethanamine
CID 166870396
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2-methoxyethoxy)propyl]methanesulfonamide
CID 88980982
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
CID 113068071

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide (CID 88980561) is N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide is CC(C)(C)C(CF)OCCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide?
The InChIKey is LDSHTKOBOKCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO3S/c1-12(2,3)11(10-14)18-9-8-15(13(4,5)6)19(7,16)17/h11H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide?
N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide has a molecular weight of 297.44 g/mol, XLogP of 2.45, 6 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-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide is sourced from PubChem (CID 88980561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).