7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride

C17H26Cl2N2OS — CID 119793251

IUPAC7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2OS.ClH/c18-15-8-6-14(7-9-15)16-13-22-12-11-20(16)17(21)5-3-1-2-4-10-19;/h6-9,16H,1-5,10-13,19H2;1H
InChIKeyIGYCCDFHBMTCHC-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.29
Rot. Bonds7

About 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride

7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride (PubChem CID 119793251) has the molecular formula C17H26Cl2N2OS and a molecular weight of 377.38 g/mol. Its IUPAC name is 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
PubChem CID119793251
Molecular FormulaC17H26Cl2N2OS
Molecular Weight377.38 g/mol
Exact Mass376.11
IUPAC Name7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2OS.ClH/c18-15-8-6-14(7-9-15)16-13-22-12-11-20(16)17(21)5-3-1-2-4-10-19;/h6-9,16H,1-5,10-13,19H2;1H
InChIKeyIGYCCDFHBMTCHC-UHFFFAOYSA-N
XLogP4.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride (CID 119793251) is 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCSCC1c1ccc(Cl)cc1.
What is the InChIKey of 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride?
The InChIKey is IGYCCDFHBMTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS.ClH/c18-15-8-6-14(7-9-15)16-13-22-12-11-20(16)17(21)5-3-1-2-4-10-19;/h6-9,16H,1-5,10-13,19H2;1H.
What are the key properties of 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride?
7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride has a molecular weight of 377.38 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119793251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).