N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide

C16H23N5O2S — CID 58158748

IUPACN-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(N)c1)N1CC2(C=N1)CCCC2
InChIInChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12,17H2,1H3,(H,18,20)
InChIKeyTZECKIWOLLTNSY-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.78
Rot. Bonds3

About N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide

N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide (PubChem CID 58158748) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide.

Molecular Properties

Compound NameN-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
PubChem CID58158748
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(N)c1)N1CC2(C=N1)CCCC2
InChIInChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12,17H2,1H3,(H,18,20)
InChIKeyTZECKIWOLLTNSY-UHFFFAOYSA-N
XLogP1.78
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
CID 58158719
N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 58158684
N-[4-(aminomethyl)phenyl]sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide;N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide;ethanol
CID 161479073
tert-butyl N-[4-[[N-ethyl-C-(2,3,8-triazaspiro[4.5]dec-3-en-2-yl)carbonimidoyl]sulfamoyl]phenyl]carbamate
CID 66933465
N-[3-(aminomethyl)phenyl]sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]nonane-3-carboximidamide
CID 58158665
N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339351
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
N-(4-carbamimidoylphenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide;N-(4-cyanophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide;methane
CID 158964584
5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide
CID 11569861
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 113498468
N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 59339353

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The IUPAC name of N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide (CID 58158748) is N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide.
What is the SMILES notation for N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The canonical SMILES for N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(N)c1)N1CC2(C=N1)CCCC2.
What is the InChIKey of N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
The InChIKey is TZECKIWOLLTNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide?
N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide has a molecular weight of 349.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide is sourced from PubChem (CID 58158748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).