(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride

C14H20Cl2N2O2S — CID 119791871

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-14(2)8-17(4-5-20-14)13(18)9-6-10(15)11(16)7-12(9)19-3;/h6-7H,4-5,8,16H2,1-3H3;1H
InChIKeyVYLWBRSFDSZLBD-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.32
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride

(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119791871) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119791871
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-14(2)8-17(4-5-20-14)13(18)9-6-10(15)11(16)7-12(9)19-3;/h6-7H,4-5,8,16H2,1-3H3;1H
InChIKeyVYLWBRSFDSZLBD-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734706
(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
CID 119784783
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 119813660
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dichloro-2-methoxyphenyl)methanone;hydrochloride
CID 120806234
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride (CID 119791871) is (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCSC(C)(C)C1.Cl.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is VYLWBRSFDSZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S.ClH/c1-14(2)8-17(4-5-20-14)13(18)9-6-10(15)11(16)7-12(9)19-3;/h6-7H,4-5,8,16H2,1-3H3;1H.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 351.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119791871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).