(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide

C11H14N6O2S — CID 172977633

IUPAC(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C11H14N6O2S/c1-7-5-8(17-20(2,18)19)3-4-9(7)15-16-10(6-12)11(13)14/h3-5,15,17H,1-2H3,(H3,13,14)/b16-10+
InChIKeyCNWGQKRNAGRJAQ-MHWRWJLKSA-N
MW294.34 g/mol
LogP0.59
Rot. Bonds5

About (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide (PubChem CID 172977633) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide
PubChem CID172977633
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C11H14N6O2S/c1-7-5-8(17-20(2,18)19)3-4-9(7)15-16-10(6-12)11(13)14/h3-5,15,17H,1-2H3,(H3,13,14)/b16-10+
InChIKeyCNWGQKRNAGRJAQ-MHWRWJLKSA-N
XLogP0.59
TPSA144.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[2-hydroxy-5-[[3-(methanesulfonamido)phenyl]sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172978978
(1Z)-2-amino-N-[3,5-bis(methylsulfonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978388
(1Z)-2-amino-N-(4-bromo-2-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931849
(1Z)-2-amino-2-imino-N-(4-methyl-3-nitroanilino)ethanimidoyl cyanide
CID 172931624
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
(1Z)-N-(2-acetamido-5-chloroanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976589
(1Z)-2-amino-N-(2-bromo-5-ethylsulfonylanilino)-2-iminoethanimidoyl cyanide
CID 172932086
(1Z)-2-amino-N-(3-chloro-4-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172980323
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
5-[[4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-methylphenoxy]methyl]furan-2-carboxylic acid
CID 172978780
(1Z)-2-amino-N-(4-tert-butyl-2-chloroanilino)-2-iminoethanimidoyl cyanide
CID 172976470
(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977921

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide (CID 172977633) is (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(NS(C)(=O)=O)cc1C.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide?
The InChIKey is CNWGQKRNAGRJAQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-7-5-8(17-20(2,18)19)3-4-9(7)15-16-10(6-12)11(13)14/h3-5,15,17H,1-2H3,(H3,13,14)/b16-10+.
What are the key properties of (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide has a molecular weight of 294.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[4-(methanesulfonamido)-2-methylanilino]ethanimidoyl cyanide is sourced from PubChem (CID 172977633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).