5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene

C8H14N2O3S — CID 173171798

IUPAC5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene
SMILESCN(C)S(=O)(=O)NC1(O)C=CC=CC1
InChIInChI=1S/C8H14N2O3S/c1-10(2)14(12,13)9-8(11)6-4-3-5-7-8/h3-6,9,11H,7H2,1-2H3
InChIKeyQTAREVFGGFMQMZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.41
Rot. Bonds3

About 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene

5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene (PubChem CID 173171798) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene
PubChem CID173171798
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene
SMILESCN(C)S(=O)(=O)NC1(O)C=CC=CC1
InChIInChI=1S/C8H14N2O3S/c1-10(2)14(12,13)9-8(11)6-4-3-5-7-8/h3-6,9,11H,7H2,1-2H3
InChIKeyQTAREVFGGFMQMZ-UHFFFAOYSA-N
XLogP-0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene?
The IUPAC name of 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene (CID 173171798) is 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene?
The canonical SMILES for 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene is CN(C)S(=O)(=O)NC1(O)C=CC=CC1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene?
The InChIKey is QTAREVFGGFMQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-10(2)14(12,13)9-8(11)6-4-3-5-7-8/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene?
5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene has a molecular weight of 218.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-5-hydroxycyclohexa-1,3-diene is sourced from PubChem (CID 173171798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).