1-amino-4-(sulfinamoylamino)benzene

C6H9N3OS — CID 90338504

IUPAC1-amino-4-(sulfinamoylamino)benzene
SMILESNc1ccc(NS(N)=O)cc1
InChIInChI=1S/C6H9N3OS/c7-5-1-3-6(4-2-5)9-11(8)10/h1-4,9H,7-8H2
InChIKeyIUCUHJQWEDSYSL-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.22
Rot. Bonds2

About 1-amino-4-(sulfinamoylamino)benzene

1-amino-4-(sulfinamoylamino)benzene (PubChem CID 90338504) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 1-amino-4-(sulfinamoylamino)benzene.

Molecular Properties

Compound Name1-amino-4-(sulfinamoylamino)benzene
PubChem CID90338504
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name1-amino-4-(sulfinamoylamino)benzene
SMILESNc1ccc(NS(N)=O)cc1
InChIInChI=1S/C6H9N3OS/c7-5-1-3-6(4-2-5)9-11(8)10/h1-4,9H,7-8H2
InChIKeyIUCUHJQWEDSYSL-UHFFFAOYSA-N
XLogP0.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(sulfinamoylamino)benzene?
The IUPAC name of 1-amino-4-(sulfinamoylamino)benzene (CID 90338504) is 1-amino-4-(sulfinamoylamino)benzene.
What is the SMILES notation for 1-amino-4-(sulfinamoylamino)benzene?
The canonical SMILES for 1-amino-4-(sulfinamoylamino)benzene is Nc1ccc(NS(N)=O)cc1.
What is the InChIKey of 1-amino-4-(sulfinamoylamino)benzene?
The InChIKey is IUCUHJQWEDSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-5-1-3-6(4-2-5)9-11(8)10/h1-4,9H,7-8H2.
What are the key properties of 1-amino-4-(sulfinamoylamino)benzene?
1-amino-4-(sulfinamoylamino)benzene has a molecular weight of 171.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(sulfinamoylamino)benzene is sourced from PubChem (CID 90338504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).