(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine

C14H20ClNO2S — CID 170360871

IUPAC(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
SMILESCCS(=O)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C14H20ClNO2S/c1-2-19(17)10-14-8-16-13(9-18-14)7-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3/t13-,14+,19?/m0/s1
InChIKeyZXNAUSUVWSKMOS-PFCANICASA-N
MW301.84 g/mol
LogP2.01
Rot. Bonds5

About (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine (PubChem CID 170360871) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
PubChem CID170360871
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
SMILESCCS(=O)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C14H20ClNO2S/c1-2-19(17)10-14-8-16-13(9-18-14)7-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3/t13-,14+,19?/m0/s1
InChIKeyZXNAUSUVWSKMOS-PFCANICASA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine?
The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine (CID 170360871) is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine is CCS(=O)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine?
The InChIKey is ZXNAUSUVWSKMOS-PFCANICASA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-19(17)10-14-8-16-13(9-18-14)7-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3/t13-,14+,19?/m0/s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine?
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine has a molecular weight of 301.84 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine is sourced from PubChem (CID 170360871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).