[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide

C19H34N3O2S- — CID 91034582

IUPAC[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(=C=[N-])C#N
InChIInChI=1S/C19H34N3O2S/c1-5-9-11-17(7-3)15-22(16-18(8-4)12-10-6-2)25(23,24)19(13-20)14-21/h17-18H,5-12,15-16H2,1-4H3/q-1
InChIKeyMPSFPBJUULIGOT-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.70
Rot. Bonds14

About [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide

[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide (PubChem CID 91034582) has the molecular formula C19H34N3O2S- and a molecular weight of 368.57 g/mol. Its IUPAC name is [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide.

Molecular Properties

Compound Name[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide
PubChem CID91034582
Molecular FormulaC19H34N3O2S-
Molecular Weight368.57 g/mol
Exact Mass368.24
IUPAC Name[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(=C=[N-])C#N
InChIInChI=1S/C19H34N3O2S/c1-5-9-11-17(7-3)15-22(16-18(8-4)12-10-6-2)25(23,24)19(13-20)14-21/h17-18H,5-12,15-16H2,1-4H3/q-1
InChIKeyMPSFPBJUULIGOT-UHFFFAOYSA-N
XLogP4.70
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tris([2-cyano-2-(dibutylsulfamoyl)ethenylidene]azanide);scandium(3+)
CID 15974024
2,3-bis(2-ethylhexylsulfanyl)but-2-enedinitrile
CID 123201122
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-[(E)-3-[bis(2-ethylhexyl)amino]prop-2-enylidene]propanedinitrile
CID 25093776
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid
CID 138397294
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
5-[butyl(2-ethylhexyl)sulfamoyl]-4,4-difluoroheptane-3-sulfonic acid
CID 89153415
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide?
The IUPAC name of [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide (CID 91034582) is [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide.
What is the SMILES notation for [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide?
The canonical SMILES for [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(=C=[N-])C#N.
What is the InChIKey of [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide?
The InChIKey is MPSFPBJUULIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N3O2S/c1-5-9-11-17(7-3)15-22(16-18(8-4)12-10-6-2)25(23,24)19(13-20)14-21/h17-18H,5-12,15-16H2,1-4H3/q-1.
What are the key properties of [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide?
[2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide has a molecular weight of 368.57 g/mol, XLogP of 4.70, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-ethylhexyl)sulfamoyl]-2-cyanoethenylidene]azanide is sourced from PubChem (CID 91034582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).