N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide

C5H9F3N2O2S — CID 118692691

IUPACN-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4(3-9)1-2-4/h10H,1-3,9H2
InChIKeyYTRMAPHFUIZDII-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.08
Rot. Bonds3

About N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide

N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 118692691) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID118692691
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4(3-9)1-2-4/h10H,1-3,9H2
InChIKeyYTRMAPHFUIZDII-UHFFFAOYSA-N
XLogP-0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide (CID 118692691) is N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YTRMAPHFUIZDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4(3-9)1-2-4/h10H,1-3,9H2.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 218.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 118692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).