(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C14H18ClNO2S — CID 47004692

IUPAC(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H18ClNO2S/c1-9-7-16(8-10(2)18-9)14(17)12-6-11(19-3)4-5-13(12)15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNYNHCJGQDMNIOG-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.31
Rot. Bonds2

About (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 47004692) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID47004692
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H18ClNO2S/c1-9-7-16(8-10(2)18-9)14(17)12-6-11(19-3)4-5-13(12)15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNYNHCJGQDMNIOG-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylsulfanylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720312
(2-chloro-5-methylsulfanylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872143
(3-amino-5-methylpiperidin-1-yl)-(2-chloro-5-methylsulfanylphenyl)methanone
CID 79994151
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 47004692) is (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CSc1ccc(Cl)c(C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is NYNHCJGQDMNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-9-7-16(8-10(2)18-9)14(17)12-6-11(19-3)4-5-13(12)15/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 299.82 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47004692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).