N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide

C7H15F3N2O2S — CID 106336334

IUPACN-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-15(13,14)12-5-2-4-11-6-3-7(8,9)10/h11-12H,2-6H2,1H3
InChIKeySZZIRHFXCJEALV-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.47
Rot. Bonds7

About N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide

N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide (PubChem CID 106336334) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide
PubChem CID106336334
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC NameN-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-15(13,14)12-5-2-4-11-6-3-7(8,9)10/h11-12H,2-6H2,1H3
InChIKeySZZIRHFXCJEALV-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonohydrazide
CID 89307846
Dimethyl(propyl)azanium;trifluoromethanesulfonate
CID 118647264
Bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
CID 141159440
Bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium
CID 141403817
N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide
CID 166776011
Bis(trifluoromethylsulfonyl)azanide;3-(methylamino)propylazanium
CID 168084916

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide (CID 106336334) is N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCC(F)(F)F.
What is the InChIKey of N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide?
The InChIKey is SZZIRHFXCJEALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-15(13,14)12-5-2-4-11-6-3-7(8,9)10/h11-12H,2-6H2,1H3.
What are the key properties of N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide?
N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3,3-trifluoropropylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).