N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine

C18H25N3O2S — CID 137268400

IUPACN-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESO=S1(=O)N/C(=N\C2CCCN(C3CCCCC3)C2)c2ccccc21
InChIInChI=1S/C18H25N3O2S/c22-24(23)17-11-5-4-10-16(17)18(20-24)19-14-7-6-12-21(13-14)15-8-2-1-3-9-15/h4-5,10-11,14-15H,1-3,6-9,12-13H2,(H,19,20)
InChIKeyVAYBRWRXIOSXTB-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.52
Rot. Bonds2

About N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine

N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine (PubChem CID 137268400) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine
PubChem CID137268400
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESO=S1(=O)N/C(=N\C2CCCN(C3CCCCC3)C2)c2ccccc21
InChIInChI=1S/C18H25N3O2S/c22-24(23)17-11-5-4-10-16(17)18(20-24)19-14-7-6-12-21(13-14)15-8-2-1-3-9-15/h4-5,10-11,14-15H,1-3,6-9,12-13H2,(H,19,20)
InChIKeyVAYBRWRXIOSXTB-UHFFFAOYSA-N
XLogP2.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine?
The IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine (CID 137268400) is N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine.
What is the SMILES notation for N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine?
The canonical SMILES for N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine is O=S1(=O)N/C(=N\C2CCCN(C3CCCCC3)C2)c2ccccc21.
What is the InChIKey of N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine?
The InChIKey is VAYBRWRXIOSXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-24(23)17-11-5-4-10-16(17)18(20-24)19-14-7-6-12-21(13-14)15-8-2-1-3-9-15/h4-5,10-11,14-15H,1-3,6-9,12-13H2,(H,19,20).
What are the key properties of N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine?
N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine has a molecular weight of 347.48 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine is sourced from PubChem (CID 137268400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).