N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide

C8H17F3N2O2S — CID 56701258

IUPACN-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(CC(F)(F)F)NCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(6-8(9,10)11)12-4-5-13(2)16(3,14)15/h7,12H,4-6H2,1-3H3
InChIKeyJOZOCMKXWJQBTA-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.81
Rot. Bonds6

About N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide

N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide (PubChem CID 56701258) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide
PubChem CID56701258
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(CC(F)(F)F)NCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(6-8(9,10)11)12-4-5-13(2)16(3,14)15/h7,12H,4-6H2,1-3H3
InChIKeyJOZOCMKXWJQBTA-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 58821834
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 89072382
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241722
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481036
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481054
N-[2-[1,4-bis(diethylamino)butan-2-ylamino]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 130303695
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
2-(Fluoromethyl)-1-methylsulfonylpiperazine
CID 130440437
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide (CID 56701258) is N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide is CC(CC(F)(F)F)NCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide?
The InChIKey is JOZOCMKXWJQBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(6-8(9,10)11)12-4-5-13(2)16(3,14)15/h7,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide?
N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4,4,4-trifluorobutan-2-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 56701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).