4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

C8H15N3O2S — CID 154290813

IUPAC4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCC(N)(N)C=C1
InChIInChI=1S/C8H15N3O2S/c1-11(2)14(12,13)7-3-5-8(9,10)6-4-7/h3-5H,6,9-10H2,1-2H3
InChIKeyLWEYFGOCVZYXTE-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.66
Rot. Bonds2

About 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 154290813) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID154290813
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCC(N)(N)C=C1
InChIInChI=1S/C8H15N3O2S/c1-11(2)14(12,13)7-3-5-8(9,10)6-4-7/h3-5H,6,9-10H2,1-2H3
InChIKeyLWEYFGOCVZYXTE-UHFFFAOYSA-N
XLogP-0.66
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (CID 154290813) is 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is CN(C)S(=O)(=O)C1=CCC(N)(N)C=C1.
What is the InChIKey of 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is LWEYFGOCVZYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-11(2)14(12,13)7-3-5-8(9,10)6-4-7/h3-5H,6,9-10H2,1-2H3.
What are the key properties of 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 154290813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).