N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O3S2 — CID 167420852

IUPACN-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S2/c1-4(2,3)9-14(11)10-15(12,13)5(6,7)8/h9-10H,1-3H3
InChIKeyKZSNPCXFAVAEDK-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.39
Rot. Bonds3

About N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide

N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 167420852) has the molecular formula C5H11F3N2O3S2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
PubChem CID167420852
Molecular FormulaC5H11F3N2O3S2
Molecular Weight268.28 g/mol
Exact Mass268.02
IUPAC NameN-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S2/c1-4(2,3)9-14(11)10-15(12,13)5(6,7)8/h9-10H,1-3H3
InChIKeyKZSNPCXFAVAEDK-UHFFFAOYSA-N
XLogP0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
N-(2,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 177855038
Tert-butylazanium;trifluoromethanesulfonate
CID 20277130
N-tert-butyl-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
2-Methylpropan-2-amine;trifluoromethanesulfonic acid
CID 71816256
2,3-Dimethylbutan-2-amine;trifluoromethanesulfonamide
CID 87657307
2-Methylbutan-2-ylazanium;trifluoromethanesulfonate
CID 118876474
N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126606283
N-(2-aminobutan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126608055
N-(3-aminopentan-3-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfanyl)methanesulfonamide
CID 126608056
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
CID 130654356

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide (CID 167420852) is N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide is CC(C)(C)NS(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KZSNPCXFAVAEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S2/c1-4(2,3)9-14(11)10-15(12,13)5(6,7)8/h9-10H,1-3H3.
What are the key properties of N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide?
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 268.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 167420852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).