2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine

C16H24ClN3O2S — CID 23337790

IUPAC2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CCC2(CC1)Nc1cc(Cl)ccc1S(=O)(=O)N2
InChIInChI=1S/C16H24ClN3O2S/c1-20(2)10-7-12-5-8-16(9-6-12)18-14-11-13(17)3-4-15(14)23(21,22)19-16/h3-4,11-12,18-19H,5-10H2,1-2H3
InChIKeyIFJDVLVVDYSOET-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.88
Rot. Bonds3

About 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine

2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine (PubChem CID 23337790) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine
PubChem CID23337790
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CCC2(CC1)Nc1cc(Cl)ccc1S(=O)(=O)N2
InChIInChI=1S/C16H24ClN3O2S/c1-20(2)10-7-12-5-8-16(9-6-12)18-14-11-13(17)3-4-15(14)23(21,22)19-16/h3-4,11-12,18-19H,5-10H2,1-2H3
InChIKeyIFJDVLVVDYSOET-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine (CID 23337790) is 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine is CN(C)CCC1CCC2(CC1)Nc1cc(Cl)ccc1S(=O)(=O)N2.
What is the InChIKey of 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine?
The InChIKey is IFJDVLVVDYSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c1-20(2)10-7-12-5-8-16(9-6-12)18-14-11-13(17)3-4-15(14)23(21,22)19-16/h3-4,11-12,18-19H,5-10H2,1-2H3.
What are the key properties of 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine?
2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine has a molecular weight of 357.91 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23337790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).