4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride

C13H20Cl3N3OS — CID 119853632

IUPAC4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCCN2CCSCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3OS.2ClH/c14-12-9-10(15)1-2-11(12)13(18)16-3-4-17-5-7-19-8-6-17;;/h1-2,9H,3-8,15H2,(H,16,18);2*1H
InChIKeyAEEIHQBLDBFUKL-UHFFFAOYSA-N
MW372.75 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride

4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride (PubChem CID 119853632) has the molecular formula C13H20Cl3N3OS and a molecular weight of 372.75 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
PubChem CID119853632
Molecular FormulaC13H20Cl3N3OS
Molecular Weight372.75 g/mol
Exact Mass371.04
IUPAC Name4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCCN2CCSCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3OS.2ClH/c14-12-9-10(15)1-2-11(12)13(18)16-3-4-17-5-7-19-8-6-17;;/h1-2,9H,3-8,15H2,(H,16,18);2*1H
InChIKeyAEEIHQBLDBFUKL-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride (CID 119853632) is 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)NCCN2CCSCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride?
The InChIKey is AEEIHQBLDBFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS.2ClH/c14-12-9-10(15)1-2-11(12)13(18)16-3-4-17-5-7-19-8-6-17;;/h1-2,9H,3-8,15H2,(H,16,18);2*1H.
What are the key properties of 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride?
4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride has a molecular weight of 372.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119853632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).