(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine

C15H23NO2S2 — CID 100640488

IUPAC(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine
SMILESCC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CCS1
InChIInChI=1S/C15H23NO2S2/c1-4-14-11-16(9-10-19-14)12(2)13-5-7-15(8-6-13)20(3,17)18/h5-8,12,14H,4,9-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyYWISUGUYDFBLDO-TZMCWYRMSA-N
MW313.49 g/mol
LogP2.98
Rot. Bonds4

About (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine

(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine (PubChem CID 100640488) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine
PubChem CID100640488
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine
SMILESCC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CCS1
InChIInChI=1S/C15H23NO2S2/c1-4-14-11-16(9-10-19-14)12(2)13-5-7-15(8-6-13)20(3,17)18/h5-8,12,14H,4,9-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyYWISUGUYDFBLDO-TZMCWYRMSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine 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 (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine?
The IUPAC name of (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine (CID 100640488) is (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine.
What is the SMILES notation for (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine?
The canonical SMILES for (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine is CC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CCS1.
What is the InChIKey of (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine?
The InChIKey is YWISUGUYDFBLDO-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-4-14-11-16(9-10-19-14)12(2)13-5-7-15(8-6-13)20(3,17)18/h5-8,12,14H,4,9-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine?
(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine has a molecular weight of 313.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine is sourced from PubChem (CID 100640488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).