N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride

C15H20ClN3OS — CID 122180116

IUPACN-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride
SMILESCl.NC1=NC2CCC(NC(=O)c3ccccc3)CC2CS1
InChIInChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H
InChIKeyIIDCHWRBJOMJAY-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.44
Rot. Bonds2

About N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride

N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride (PubChem CID 122180116) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride
PubChem CID122180116
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride
SMILESCl.NC1=NC2CCC(NC(=O)c3ccccc3)CC2CS1
InChIInChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H
InChIKeyIIDCHWRBJOMJAY-UHFFFAOYSA-N
XLogP2.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride (CID 122180116) is N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride is Cl.NC1=NC2CCC(NC(=O)c3ccccc3)CC2CS1.
What is the InChIKey of N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride?
The InChIKey is IIDCHWRBJOMJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H.
What are the key properties of N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride?
N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 122180116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).