N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide

C7H12F3NO3S — CID 164640993

IUPACN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide
SMILESCN(C[C@H](O)C(F)(F)F)S(=O)(=O)C1CC1
InChIInChI=1S/C7H12F3NO3S/c1-11(4-6(12)7(8,9)10)15(13,14)5-2-3-5/h5-6,12H,2-4H2,1H3/t6-/m0/s1
InChIKeyZKSBZUKCAWDIIZ-LURJTMIESA-N
MW247.24 g/mol
LogP0.33
Rot. Bonds4

About N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide

N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide (PubChem CID 164640993) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide
PubChem CID164640993
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC NameN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide
SMILESCN(C[C@H](O)C(F)(F)F)S(=O)(=O)C1CC1
InChIInChI=1S/C7H12F3NO3S/c1-11(4-6(12)7(8,9)10)15(13,14)5-2-3-5/h5-6,12H,2-4H2,1H3/t6-/m0/s1
InChIKeyZKSBZUKCAWDIIZ-LURJTMIESA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide (CID 164640993) is N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide is CN(C[C@H](O)C(F)(F)F)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide?
The InChIKey is ZKSBZUKCAWDIIZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-11(4-6(12)7(8,9)10)15(13,14)5-2-3-5/h5-6,12H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide?
N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide has a molecular weight of 247.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide is sourced from PubChem (CID 164640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).