2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid

C11H20NO2PS — CID 88660542

IUPAC2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid
SMILESC=CCN(CC=C)CCSP(=O)(O)CC=C
InChIInChI=1S/C11H20NO2PS/c1-4-7-12(8-5-2)9-11-16-15(13,14)10-6-3/h4-6H,1-3,7-11H2,(H,13,14)
InChIKeyOGXIBYAADZALAM-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.77
Rot. Bonds10

About 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid

2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid (PubChem CID 88660542) has the molecular formula C11H20NO2PS and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid
PubChem CID88660542
Molecular FormulaC11H20NO2PS
Molecular Weight261.33 g/mol
Exact Mass261.10
IUPAC Name2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid
SMILESC=CCN(CC=C)CCSP(=O)(O)CC=C
InChIInChI=1S/C11H20NO2PS/c1-4-7-12(8-5-2)9-11-16-15(13,14)10-6-3/h4-6H,1-3,7-11H2,(H,13,14)
InChIKeyOGXIBYAADZALAM-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
CID 88985186
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
acetylene;prop-2-enylphosphonic acid
CID 175361195
N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
CID 174858360
1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
CID 62623498
N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine
CID 88502232
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid (CID 88660542) is 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid is C=CCN(CC=C)CCSP(=O)(O)CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid?
The InChIKey is OGXIBYAADZALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO2PS/c1-4-7-12(8-5-2)9-11-16-15(13,14)10-6-3/h4-6H,1-3,7-11H2,(H,13,14).
What are the key properties of 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid?
2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid has a molecular weight of 261.33 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]ethylsulfanyl-prop-2-enylphosphinic acid is sourced from PubChem (CID 88660542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).