octyl N-(triethoxy-λ5-phosphanylidene)sulfamate

C14H32NO6PS — CID 23245305

IUPACoctyl N-(triethoxy-λ5-phosphanylidene)sulfamate
SMILESCCCCCCCCOS(=O)(=O)N=P(OCC)(OCC)OCC
InChIInChI=1S/C14H32NO6PS/c1-5-9-10-11-12-13-14-21-23(16,17)15-22(18-6-2,19-7-3)20-8-4/h5-14H2,1-4H3
InChIKeyNETKVRDSJZLTIE-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.66
Rot. Bonds15

About octyl N-(triethoxy-λ5-phosphanylidene)sulfamate

octyl N-(triethoxy-λ5-phosphanylidene)sulfamate (PubChem CID 23245305) has the molecular formula C14H32NO6PS and a molecular weight of 373.45 g/mol. Its IUPAC name is octyl N-(triethoxy-λ5-phosphanylidene)sulfamate.

Molecular Properties

Compound Nameoctyl N-(triethoxy-λ5-phosphanylidene)sulfamate
PubChem CID23245305
Molecular FormulaC14H32NO6PS
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameoctyl N-(triethoxy-λ5-phosphanylidene)sulfamate
SMILESCCCCCCCCOS(=O)(=O)N=P(OCC)(OCC)OCC
InChIInChI=1S/C14H32NO6PS/c1-5-9-10-11-12-13-14-21-23(16,17)15-22(18-6-2,19-7-3)20-8-4/h5-14H2,1-4H3
InChIKeyNETKVRDSJZLTIE-UHFFFAOYSA-N
XLogP4.66
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

octyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
CID 11454945
hexadecyl N-[tris(trimethylsilyloxy)-λ5-phosphanylidene]sulfamate
CID 101342320
methane;pentyl methanesulfonate
CID 158804088
octyl N-diethoxyphosphorylsulfamate
CID 23419685
azane;N,N-dimethylmethanamine;octadecyl methanesulfonate
CID 174627286
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
ethyl octyl sulfate
CID 22483719
tridecyl hydrogen sulfate;hydrate
CID 88668618
butyl hexadecyl sulfate
CID 174632644
sodium dihexadecyl sulfate
CID 23616668
magnesium dihexyl sulfate
CID 21125103

Frequently Asked Questions

What is the IUPAC name of octyl N-(triethoxy-λ5-phosphanylidene)sulfamate?
The IUPAC name of octyl N-(triethoxy-λ5-phosphanylidene)sulfamate (CID 23245305) is octyl N-(triethoxy-λ5-phosphanylidene)sulfamate.
What is the SMILES notation for octyl N-(triethoxy-λ5-phosphanylidene)sulfamate?
The canonical SMILES for octyl N-(triethoxy-λ5-phosphanylidene)sulfamate is CCCCCCCCOS(=O)(=O)N=P(OCC)(OCC)OCC.
What is the InChIKey of octyl N-(triethoxy-λ5-phosphanylidene)sulfamate?
The InChIKey is NETKVRDSJZLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO6PS/c1-5-9-10-11-12-13-14-21-23(16,17)15-22(18-6-2,19-7-3)20-8-4/h5-14H2,1-4H3.
What are the key properties of octyl N-(triethoxy-λ5-phosphanylidene)sulfamate?
octyl N-(triethoxy-λ5-phosphanylidene)sulfamate has a molecular weight of 373.45 g/mol, XLogP of 4.66, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(triethoxy-λ5-phosphanylidene)sulfamate is sourced from PubChem (CID 23245305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).