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1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C12H23F3N2O3S — CID 157049122

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESC[C@@H](COCS(=O)(=O)NCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H23F3N2O3S/c1-10(17-11-5-3-2-4-6-11)7-20-9-21(18,19)16-8-12(13,14)15/h10-11,16-17H,2-9H2,1H3/t10-/m0/s1
InChIKeyJGJMJYYDYVQRNH-JTQLQIEISA-N
MW332.39 g/mol
LogP1.75
Rot. Bonds8

About 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide

1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 157049122) has the molecular formula C12H23F3N2O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID157049122
Molecular FormulaC12H23F3N2O3S
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESC[C@@H](COCS(=O)(=O)NCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H23F3N2O3S/c1-10(17-11-5-3-2-4-6-11)7-20-9-21(18,19)16-8-12(13,14)15/h10-11,16-17H,2-9H2,1H3/t10-/m0/s1
InChIKeyJGJMJYYDYVQRNH-JTQLQIEISA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 157049122) is 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide is C[C@@H](COCS(=O)(=O)NCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is JGJMJYYDYVQRNH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23F3N2O3S/c1-10(17-11-5-3-2-4-6-11)7-20-9-21(18,19)16-8-12(13,14)15/h10-11,16-17H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 157049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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