N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

C10H17F3N2O4S — CID 175950903

IUPACN-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1CS(=O)(=O)NC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2S.C2HF3O2/c1-6-7(4-9-6)5-13(11,12)10-8-2-3-8;3-2(4,5)1(6)7/h6-10H,2-5H2,1H3;(H,6,7)/t6-,7-;/m1./s1
InChIKeySLLGIEXGGNFPQU-ZJLYAJKPSA-N
MW318.32 g/mol
LogP0.31
Rot. Bonds4

About N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175950903) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175950903
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC NameN-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1CS(=O)(=O)NC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2S.C2HF3O2/c1-6-7(4-9-6)5-13(11,12)10-8-2-3-8;3-2(4,5)1(6)7/h6-10H,2-5H2,1H3;(H,6,7)/t6-,7-;/m1./s1
InChIKeySLLGIEXGGNFPQU-ZJLYAJKPSA-N
XLogP0.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 175950903) is N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is C[C@H]1NC[C@@H]1CS(=O)(=O)NC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is SLLGIEXGGNFPQU-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H16N2O2S.C2HF3O2/c1-6-7(4-9-6)5-13(11,12)10-8-2-3-8;3-2(4,5)1(6)7/h6-10H,2-5H2,1H3;(H,6,7)/t6-,7-;/m1./s1.
What are the key properties of N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 318.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175950903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).