N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide

C5H8F3NO2S — CID 11790283

IUPACN-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-3-4-1-2-4/h4,9H,1-3H2
InChIKeyFNXLAVQIVKAGAT-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.84
Rot. Bonds3

About N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide

N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 11790283) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID11790283
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC NameN-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-3-4-1-2-4/h4,9H,1-3H2
InChIKeyFNXLAVQIVKAGAT-UHFFFAOYSA-N
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide (CID 11790283) is N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1CC1)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FNXLAVQIVKAGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)9-3-4-1-2-4/h4,9H,1-3H2.
What are the key properties of N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide?
N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 203.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11790283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).