bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate

C16H42N6O4P2S — CID 140689429

IUPACbis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate
SMILESCN(C)C(CPOS(=O)(=O)OPCC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C16H42N6O4P2S/c1-17(2)15(18(3)4,19(5)6)13-27-25-29(23,24)26-28-14-16(20(7)8,21(9)10)22(11)12/h27-28H,13-14H2,1-12H3
InChIKeyGIHQERYMTHPTPS-UHFFFAOYSA-N
MW476.57 g/mol
LogP0.13
Rot. Bonds14

About bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate

bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate (PubChem CID 140689429) has the molecular formula C16H42N6O4P2S and a molecular weight of 476.57 g/mol. Its IUPAC name is bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate.

Molecular Properties

Compound Namebis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate
PubChem CID140689429
Molecular FormulaC16H42N6O4P2S
Molecular Weight476.57 g/mol
Exact Mass476.25
IUPAC Namebis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate
SMILESCN(C)C(CPOS(=O)(=O)OPCC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C16H42N6O4P2S/c1-17(2)15(18(3)4,19(5)6)13-27-25-29(23,24)26-28-14-16(20(7)8,21(9)10)22(11)12/h27-28H,13-14H2,1-12H3
InChIKeyGIHQERYMTHPTPS-UHFFFAOYSA-N
XLogP0.13
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[tris(dimethylamino)methoxyphosphanyl] sulfate
CID 141154520
[1-(dimethylamino)-1-methoxypropyl] methyl sulfate
CID 134894052
methane;N-methyl-N-methylsulfonylmethanesulfonamide
CID 157258275
N-ethoxy-N-(methylsulfonimidoyl)methanamine
CID 164656066
1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
CID 175352703
bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
CID 174527843
ethyl N-methyl-N-(methylamino)sulfamate
CID 158472520
chloro N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 139547171
N,N-diethoxymethanamine;methyl hydrogen sulfate
CID 173043351
3-ethylpentan-3-ylphosphanyl hydrogen sulfate
CID 142725561
dimethylamino propyl sulfate
CID 165093192
1-N,1-N,1-N',1-N',1-N",1-N"-hexamethyl-4-silylbutane-1,1,1-triamine
CID 123500695

Frequently Asked Questions

What is the IUPAC name of bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate?
The IUPAC name of bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate (CID 140689429) is bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate.
What is the SMILES notation for bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate?
The canonical SMILES for bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate is CN(C)C(CPOS(=O)(=O)OPCC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate?
The InChIKey is GIHQERYMTHPTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42N6O4P2S/c1-17(2)15(18(3)4,19(5)6)13-27-25-29(23,24)26-28-14-16(20(7)8,21(9)10)22(11)12/h27-28H,13-14H2,1-12H3.
What are the key properties of bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate?
bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate has a molecular weight of 476.57 g/mol, XLogP of 0.13, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,2,2-tris(dimethylamino)ethylphosphanyl] sulfate is sourced from PubChem (CID 140689429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).