N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide

C6H13F3N2O2S — CID 170263422

IUPACN-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide
SMILESCNC(CCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-10-5(6(7,8)9)3-4-11-14(2,12)13/h5,10-11H,3-4H2,1-2H3
InChIKeyQXAADJPOZACBSJ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.08
Rot. Bonds5

About N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide

N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide (PubChem CID 170263422) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide
PubChem CID170263422
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide
SMILESCNC(CCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-10-5(6(7,8)9)3-4-11-14(2,12)13/h5,10-11H,3-4H2,1-2H3
InChIKeyQXAADJPOZACBSJ-UHFFFAOYSA-N
XLogP0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 70821116
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 169240282
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283
N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide
CID 170263457
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide
CID 171651303
N-methylpropan-1-amine;trifluoromethanesulfonamide
CID 175343597
N-methylbutan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 176062759
N-[(4R)-5,5-difluoroazepan-4-yl]methanesulfonamide
CID 177772366
3,3-Difluoro-1-methylsulfonylpiperidin-4-amine
CID 178001071
N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 28606505

Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide?
The IUPAC name of N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide (CID 170263422) is N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide is CNC(CCNS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide?
The InChIKey is QXAADJPOZACBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-10-5(6(7,8)9)3-4-11-14(2,12)13/h5,10-11H,3-4H2,1-2H3.
What are the key properties of N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide?
N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-(methylamino)butyl]methanesulfonamide is sourced from PubChem (CID 170263422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).