bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane

C14H24N2O2S — CID 87475209

IUPACbis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane
SMILES[H]N=S(=N[H])(OC12CCC(CC1)C2)OC12CCC(CC1)C2
InChIInChI=1S/C14H24N2O2S/c15-19(16,17-13-5-1-11(9-13)2-6-13)18-14-7-3-12(10-14)4-8-14/h11-12,15-16H,1-10H2
InChIKeyBPONEQAXJSMPKQ-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.19
Rot. Bonds4

About bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane

bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane (PubChem CID 87475209) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane.

Molecular Properties

Compound Namebis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane
PubChem CID87475209
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Namebis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane
SMILES[H]N=S(=N[H])(OC12CCC(CC1)C2)OC12CCC(CC1)C2
InChIInChI=1S/C14H24N2O2S/c15-19(16,17-13-5-1-11(9-13)2-6-13)18-14-7-3-12(10-14)4-8-14/h11-12,15-16H,1-10H2
InChIKeyBPONEQAXJSMPKQ-UHFFFAOYSA-N
XLogP4.19
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane?
The IUPAC name of bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane (CID 87475209) is bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane.
What is the SMILES notation for bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane?
The canonical SMILES for bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane is [H]N=S(=N[H])(OC12CCC(CC1)C2)OC12CCC(CC1)C2.
What is the InChIKey of bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane?
The InChIKey is BPONEQAXJSMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c15-19(16,17-13-5-1-11(9-13)2-6-13)18-14-7-3-12(10-14)4-8-14/h11-12,15-16H,1-10H2.
What are the key properties of bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane?
bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane has a molecular weight of 284.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane is sourced from PubChem (CID 87475209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).