1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide

C8H15N3O2S — CID 152748480

IUPAC1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C8H15N3O2S/c1-11(2)14(12,13)8(10)6-4-3-5-7(8)9/h3-7H,9-10H2,1-2H3
InChIKeyNIAXERGTNQOBKT-UHFFFAOYSA-N
MW217.29 g/mol
LogP-1.01
Rot. Bonds2

About 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide

1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 152748480) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID152748480
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C8H15N3O2S/c1-11(2)14(12,13)8(10)6-4-3-5-7(8)9/h3-7H,9-10H2,1-2H3
InChIKeyNIAXERGTNQOBKT-UHFFFAOYSA-N
XLogP-1.01
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 ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide (CID 152748480) is 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide is CN(C)S(=O)(=O)C1(N)C=CC=CC1N.
What is the InChIKey of 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is NIAXERGTNQOBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-11(2)14(12,13)8(10)6-4-3-5-7(8)9/h3-7H,9-10H2,1-2H3.
What are the key properties of 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide?
1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 152748480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).