1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate

C10H13N3O2S2 — CID 87092200

IUPAC1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate
SMILESC=C(NS(=O)(=O)c1ccc(C)cc1)S/C=N\N
InChIInChI=1S/C10H13N3O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-9(2)16-7-12-11/h3-7,13H,2,11H2,1H3/b12-7-
InChIKeyNQHSPPRTZLHURI-GHXNOFRVSA-N
MW271.37 g/mol
LogP1.38
Rot. Bonds5

About 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate

1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate (PubChem CID 87092200) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate
PubChem CID87092200
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate
SMILESC=C(NS(=O)(=O)c1ccc(C)cc1)S/C=N\N
InChIInChI=1S/C10H13N3O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-9(2)16-7-12-11/h3-7,13H,2,11H2,1H3/b12-7-
InChIKeyNQHSPPRTZLHURI-GHXNOFRVSA-N
XLogP1.38
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-methylidene-N-(4-methylphenyl)sulfonylbutanediamide
CID 54560302
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
1-amino-3-(4-methylphenyl)sulfonylthiourea
CID 91622634
S-prop-2-enyl N-(4-methylphenyl)sulfonylcarbamothioate
CID 88768451
N-[(3E)-3-bromo-5,6-dimethylhepta-1,3-dien-2-yl]-4-methylbenzenesulfonamide
CID 170049015
4-methylbenzenesulfonohydrazide
CID 15303
methyl N-(4-methylphenyl)sulfonyl-N'-prop-2-ynylcarbamimidothioate
CID 134123429
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate?
The IUPAC name of 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate (CID 87092200) is 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate is C=C(NS(=O)(=O)c1ccc(C)cc1)S/C=N\N.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate?
The InChIKey is NQHSPPRTZLHURI-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-9(2)16-7-12-11/h3-7,13H,2,11H2,1H3/b12-7-.
What are the key properties of 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate?
1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate has a molecular weight of 271.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylamino]ethenyl (1Z)-N-aminomethanimidothioate is sourced from PubChem (CID 87092200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).