N-methylpropan-1-amine;trifluoromethanesulfonamide

C5H13F3N2O2S — CID 175343597

IUPACN-methylpropan-1-amine;trifluoromethanesulfonamide
SMILESCCCNC.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11N.CH2F3NO2S/c1-3-4-5-2;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H2,5,6,7)
InChIKeyYKTLOPRAOCJAOB-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.41
Rot. Bonds2

About N-methylpropan-1-amine;trifluoromethanesulfonamide

N-methylpropan-1-amine;trifluoromethanesulfonamide (PubChem CID 175343597) has the molecular formula C5H13F3N2O2S and a molecular weight of 222.23 g/mol. Its IUPAC name is N-methylpropan-1-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-methylpropan-1-amine;trifluoromethanesulfonamide
PubChem CID175343597
Molecular FormulaC5H13F3N2O2S
Molecular Weight222.23 g/mol
Exact Mass222.06
IUPAC NameN-methylpropan-1-amine;trifluoromethanesulfonamide
SMILESCCCNC.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11N.CH2F3NO2S/c1-3-4-5-2;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H2,5,6,7)
InChIKeyYKTLOPRAOCJAOB-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylpropan-1-amine;trifluoromethanesulfonamide?
The IUPAC name of N-methylpropan-1-amine;trifluoromethanesulfonamide (CID 175343597) is N-methylpropan-1-amine;trifluoromethanesulfonamide.
What is the SMILES notation for N-methylpropan-1-amine;trifluoromethanesulfonamide?
The canonical SMILES for N-methylpropan-1-amine;trifluoromethanesulfonamide is CCCNC.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-methylpropan-1-amine;trifluoromethanesulfonamide?
The InChIKey is YKTLOPRAOCJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH2F3NO2S/c1-3-4-5-2;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H2,5,6,7).
What are the key properties of N-methylpropan-1-amine;trifluoromethanesulfonamide?
N-methylpropan-1-amine;trifluoromethanesulfonamide has a molecular weight of 222.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-1-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 175343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).