(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine

C14H21NO2S2 — CID 100664431

IUPAC(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
SMILESCC[C@H]1CN(c2ccccc2S(=O)(=O)CC)CCS1
InChIInChI=1S/C14H21NO2S2/c1-3-12-11-15(9-10-18-12)13-7-5-6-8-14(13)19(16,17)4-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyZIINQKSMOOAKCJ-LBPRGKRZSA-N
MW299.46 g/mol
LogP2.81
Rot. Bonds4

About (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine

(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine (PubChem CID 100664431) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
PubChem CID100664431
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
SMILESCC[C@H]1CN(c2ccccc2S(=O)(=O)CC)CCS1
InChIInChI=1S/C14H21NO2S2/c1-3-12-11-15(9-10-18-12)13-7-5-6-8-14(13)19(16,17)4-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyZIINQKSMOOAKCJ-LBPRGKRZSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine?
The IUPAC name of (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine (CID 100664431) is (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine.
What is the SMILES notation for (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine?
The canonical SMILES for (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine is CC[C@H]1CN(c2ccccc2S(=O)(=O)CC)CCS1.
What is the InChIKey of (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine?
The InChIKey is ZIINQKSMOOAKCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-3-12-11-15(9-10-18-12)13-7-5-6-8-14(13)19(16,17)4-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine?
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine has a molecular weight of 299.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine is sourced from PubChem (CID 100664431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).