N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine

C15H20N2O2S — CID 135935028

IUPACN-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESO=S1(=O)N/C(=N\C2CCCCCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O2S/c18-20(19)14-11-7-6-10-13(14)15(17-20)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,16,17)
InChIKeyNLMCVBRPUJTDAR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.84
Rot. Bonds1

About N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine

N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine (PubChem CID 135935028) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine.

Molecular Properties

Compound NameN-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
PubChem CID135935028
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESO=S1(=O)N/C(=N\C2CCCCCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O2S/c18-20(19)14-11-7-6-10-13(14)15(17-20)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,16,17)
InChIKeyNLMCVBRPUJTDAR-UHFFFAOYSA-N
XLogP2.84
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylpiperidin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 137268400
N-cyclohex-3-en-1-yl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135996452
4-cyclohexyl-3-cyclohexylimino-1,1-dioxo-1λ6,2,4-benzothiadiazepin-5-one
CID 137271339
2-[4-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]cyclohexyl]pyridazin-3-one
CID 137193674
1,1-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-benzothiazol-3-imine
CID 135682427
2-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethanamine
CID 136993672
N-(cyclopropylmethyl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135914900
N-cyclohexyl-3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 135678152
1,1-dioxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2-benzothiazol-3-imine
CID 137264519
N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,1-dioxo-1,2-benzothiazol-3-imine
CID 137264784
1,1-dioxo-N-(thian-4-ylmethyl)-1,2-benzothiazol-3-imine
CID 136966116
1,1-dioxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,2-benzothiazol-3-imine
CID 136879285

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine?
The IUPAC name of N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine (CID 135935028) is N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine.
What is the SMILES notation for N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine?
The canonical SMILES for N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine is O=S1(=O)N/C(=N\C2CCCCCCC2)c2ccccc21.
What is the InChIKey of N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine?
The InChIKey is NLMCVBRPUJTDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-20(19)14-11-7-6-10-13(14)15(17-20)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,16,17).
What are the key properties of N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine?
N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine has a molecular weight of 292.40 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine is sourced from PubChem (CID 135935028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).