N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide

C21H31FN2O4S — CID 58109744

IUPACN-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
SMILESC[C@@H](C1CCCCC1)N1CC[C@](CCNS(C)(=O)=O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H31FN2O4S/c1-16(17-6-4-3-5-7-17)24-15-13-21(28-20(24)25,12-14-23-29(2,26)27)18-8-10-19(22)11-9-18/h8-11,16-17,23H,3-7,12-15H2,1-2H3/t16-,21+/m0/s1
InChIKeyYDIYGILNLCDNFB-HRAATJIYSA-N
MW426.55 g/mol
LogP3.77
Rot. Bonds7

About N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide

N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide (PubChem CID 58109744) has the molecular formula C21H31FN2O4S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
PubChem CID58109744
Molecular FormulaC21H31FN2O4S
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC NameN-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
SMILESC[C@@H](C1CCCCC1)N1CC[C@](CCNS(C)(=O)=O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H31FN2O4S/c1-16(17-6-4-3-5-7-17)24-15-13-21(28-20(24)25,12-14-23-29(2,26)27)18-8-10-19(22)11-9-18/h8-11,16-17,23H,3-7,12-15H2,1-2H3/t16-,21+/m0/s1
InChIKeyYDIYGILNLCDNFB-HRAATJIYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide (CID 58109744) is N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide is C[C@@H](C1CCCCC1)N1CC[C@](CCNS(C)(=O)=O)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
The InChIKey is YDIYGILNLCDNFB-HRAATJIYSA-N. The full InChI is InChI=1S/C21H31FN2O4S/c1-16(17-6-4-3-5-7-17)24-15-13-21(28-20(24)25,12-14-23-29(2,26)27)18-8-10-19(22)11-9-18/h8-11,16-17,23H,3-7,12-15H2,1-2H3/t16-,21+/m0/s1.
What are the key properties of N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide?
N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide has a molecular weight of 426.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 58109744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).