(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine

C14H20ClNO3S — CID 98750419

IUPAC(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine
SMILESC[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CO1
InChIInChI=1S/C14H20ClNO3S/c1-11-10-19-12(2)9-16(11)7-8-20(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyIBVZXKSENKSYBK-RYUDHWBXSA-N
MW317.84 g/mol
LogP2.22
Rot. Bonds4

About (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine

(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine (PubChem CID 98750419) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine
PubChem CID98750419
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine
SMILESC[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CO1
InChIInChI=1S/C14H20ClNO3S/c1-11-10-19-12(2)9-16(11)7-8-20(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyIBVZXKSENKSYBK-RYUDHWBXSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine?
The IUPAC name of (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine (CID 98750419) is (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine is C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CO1.
What is the InChIKey of (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine?
The InChIKey is IBVZXKSENKSYBK-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-10-19-12(2)9-16(11)7-8-20(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine?
(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine has a molecular weight of 317.84 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 98750419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).