N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide

C5H12FNO2S — CID 131067359

IUPACN-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCC(C)(CF)NS(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(2,4-6)7-10(3,8)9/h7H,4H2,1-3H3
InChIKeyZIZMGACEYPASKA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.28
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide

N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide (PubChem CID 131067359) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
PubChem CID131067359
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCC(C)(CF)NS(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(2,4-6)7-10(3,8)9/h7H,4H2,1-3H3
InChIKeyZIZMGACEYPASKA-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylmethanesulfonamide
CID 4130162
1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
Tert-butylazanium;trifluoromethanesulfonate
CID 20277130
N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
N-tert-butyl-1-fluoroethanesulfonamide
CID 130208651
(E)-N-tert-butyl-2-fluoroethenesulfonamide
CID 130209117
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
CID 130654356
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852
N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide
CID 168726710

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide (CID 131067359) is N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide is CC(C)(CF)NS(C)(=O)=O.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide?
The InChIKey is ZIZMGACEYPASKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(2,4-6)7-10(3,8)9/h7H,4H2,1-3H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide?
N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 131067359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).