2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane

C14H24NO2PS — CID 91238700

IUPAC2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
SMILESNP(=S)(OC1CC2CCC1C2)OC1CC2CCC1C2
InChIInChI=1S/C14H24NO2PS/c15-18(19,16-13-7-9-1-3-11(13)5-9)17-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H2,15,19)
InChIKeySLIBAWOIODIOEW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.58
Rot. Bonds4

About 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane

2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane (PubChem CID 91238700) has the molecular formula C14H24NO2PS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
PubChem CID91238700
Molecular FormulaC14H24NO2PS
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
SMILESNP(=S)(OC1CC2CCC1C2)OC1CC2CCC1C2
InChIInChI=1S/C14H24NO2PS/c15-18(19,16-13-7-9-1-3-11(13)5-9)17-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H2,15,19)
InChIKeySLIBAWOIODIOEW-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475953
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
CID 154594551
CID 154594551
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
2-bicyclo[2.2.1]heptanyl [2-bicyclo[2.2.1]heptanyloxy(disulfanyl)phosphoryl] hydrogen phosphate
CID 87474183
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355

Frequently Asked Questions

What is the IUPAC name of 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane?
The IUPAC name of 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane (CID 91238700) is 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane is NP(=S)(OC1CC2CCC1C2)OC1CC2CCC1C2.
What is the InChIKey of 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane?
The InChIKey is SLIBAWOIODIOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO2PS/c15-18(19,16-13-7-9-1-3-11(13)5-9)17-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H2,15,19).
What are the key properties of 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane?
2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane has a molecular weight of 301.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane is sourced from PubChem (CID 91238700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).