7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane

C8H18N3PS — CID 15196335

IUPAC7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane
SMILESCCP1(=S)CN2CN(C)CN(C2)C1
InChIInChI=1S/C8H18N3PS/c1-3-12(13)7-10-4-9(2)5-11(6-10)8-12/h3-8H2,1-2H3
InChIKeyYBSXRTXPUNMIJG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.84
Rot. Bonds1

About 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane

7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane (PubChem CID 15196335) has the molecular formula C8H18N3PS and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane
PubChem CID15196335
Molecular FormulaC8H18N3PS
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane
SMILESCCP1(=S)CN2CN(C)CN(C2)C1
InChIInChI=1S/C8H18N3PS/c1-3-12(13)7-10-4-9(2)5-11(6-10)8-12/h3-8H2,1-2H3
InChIKeyYBSXRTXPUNMIJG-UHFFFAOYSA-N
XLogP0.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-7-(1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane
CID 102333919
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
1-ethoxy-3,5-dimethyl-1,3,5-triazinane
CID 89352923
ethane;1,2,4-trimethyl-1,2,4-triazolidine
CID 123525370
trichlorochromium(1+);1,3,5-trimethyl-1,3,5-triazinane
CID 87195451
hydron;1,3,5-triethyl-1,3,5-triazinane
CID 174488604
benzene;1,3-dimethyl-1,3-diazetidine;ethane
CID 167591443
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
CID 57077875
3,5-dimethyl-1,3,5-triazinan-1-amine
CID 141002820
butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 20569147
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
methoxymethane;1-methylpiperidine;propane
CID 143876527

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane?
The IUPAC name of 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane (CID 15196335) is 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane?
The canonical SMILES for 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane is CCP1(=S)CN2CN(C)CN(C2)C1.
What is the InChIKey of 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane?
The InChIKey is YBSXRTXPUNMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3PS/c1-3-12(13)7-10-4-9(2)5-11(6-10)8-12/h3-8H2,1-2H3.
What are the key properties of 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane?
7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane has a molecular weight of 219.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-7-sulfanylidene-1,3,5-triaza-7lambda5-phosphabicyclo[3.3.1]nonane is sourced from PubChem (CID 15196335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).