5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene

C6H10N2O3S — CID 142804989

IUPAC5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene
SMILESNS(=O)(=O)NC1(O)C=CC=CC1
InChIInChI=1S/C6H10N2O3S/c7-12(10,11)8-6(9)4-2-1-3-5-6/h1-4,8-9H,5H2,(H2,7,10,11)
InChIKeyAWMSPYVLMBEFEW-UHFFFAOYSA-N
MW190.22 g/mol
LogP-1.02
Rot. Bonds2

About 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene

5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene (PubChem CID 142804989) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene
PubChem CID142804989
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene
SMILESNS(=O)(=O)NC1(O)C=CC=CC1
InChIInChI=1S/C6H10N2O3S/c7-12(10,11)8-6(9)4-2-1-3-5-6/h1-4,8-9H,5H2,(H2,7,10,11)
InChIKeyAWMSPYVLMBEFEW-UHFFFAOYSA-N
XLogP-1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

c1-Aminophenol
CID 20474799
4-Amino-quinol
CID 70366629
(4R)-4-aminocyclohexa-1,5-diene-1,4-diol
CID 151175550
(4S)-4-aminocyclohexa-1,5-diene-1,4-diol
CID 151175551
1-Amino-3,4,5,6-tetradeuteriocyclohexa-2,4-dien-1-ol
CID 172222186
5-(Dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene
CID 173171798
1,4-Diaminocyclohexa-2,4-dien-1-ol;sulfuric acid
CID 175492815
(1-Aminocyclohexa-2,4-dien-1-yl) hydrogen sulfate
CID 174342848

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene?
The IUPAC name of 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene (CID 142804989) is 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene.
What is the SMILES notation for 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene?
The canonical SMILES for 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene is NS(=O)(=O)NC1(O)C=CC=CC1.
What is the InChIKey of 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene?
The InChIKey is AWMSPYVLMBEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c7-12(10,11)8-6(9)4-2-1-3-5-6/h1-4,8-9H,5H2,(H2,7,10,11).
What are the key properties of 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene?
5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene has a molecular weight of 190.22 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(sulfamoylamino)cyclohexa-1,3-diene is sourced from PubChem (CID 142804989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).