(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide

C14H20N6O3S — CID 172977308

IUPAC(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)NCCCOCC)cc1
InChIInChI=1S/C14H20N6O3S/c1-2-23-9-3-8-18-24(21,22)12-6-4-11(5-7-12)19-20-13(10-15)14(16)17/h4-7,18-19H,2-3,8-9H2,1H3,(H3,16,17)/b20-13+
InChIKeyFPHKBCHIODUQCC-DEDYPNTBSA-N
MW352.42 g/mol
LogP0.62
Rot. Bonds10

About (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172977308) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172977308
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)NCCCOCC)cc1
InChIInChI=1S/C14H20N6O3S/c1-2-23-9-3-8-18-24(21,22)12-6-4-11(5-7-12)19-20-13(10-15)14(16)17/h4-7,18-19H,2-3,8-9H2,1H3,(H3,16,17)/b20-13+
InChIKeyFPHKBCHIODUQCC-DEDYPNTBSA-N
XLogP0.62
TPSA153.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977921
(1Z)-2-amino-N-(4-ethylsulfanylanilino)-2-iminoethanimidoyl cyanide
CID 172977634
2-chloro-N'-[4-(3-ethoxypropylsulfamoyl)phenyl]ethanimidamide
CID 169366688
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
(1Z)-2-amino-N-(2-bromo-5-ethylsulfonylanilino)-2-iminoethanimidoyl cyanide
CID 172932086
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide
CID 172978050
(1Z)-2-amino-N-[4-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172977730
(1Z)-2-amino-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977904
(1Z)-2-amino-2-imino-N-(3-propan-2-ylsulfonylanilino)ethanimidoyl cyanide
CID 172979078
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide
CID 2972348
(1Z)-2-amino-N-[3-(ethylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976316

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide (CID 172977308) is (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)NCCCOCC)cc1.
What is the InChIKey of (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is FPHKBCHIODUQCC-DEDYPNTBSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-2-23-9-3-8-18-24(21,22)12-6-4-11(5-7-12)19-20-13(10-15)14(16)17/h4-7,18-19H,2-3,8-9H2,1H3,(H3,16,17)/b20-13+.
What are the key properties of (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 352.42 g/mol, XLogP of 0.62, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172977308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).