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

C10H19N3O2S — CID 152748453

IUPAC1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C10H19N3O2S/c1-3-13(4-2)16(14,15)10(12)8-6-5-7-9(10)11/h5-9H,3-4,11-12H2,1-2H3
InChIKeyNCQYNXFCHJHLQG-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.23
Rot. Bonds4

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

1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 152748453) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID152748453
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1(N)C=CC=CC1N
InChIInChI=1S/C10H19N3O2S/c1-3-13(4-2)16(14,15)10(12)8-6-5-7-9(10)11/h5-9H,3-4,11-12H2,1-2H3
InChIKeyNCQYNXFCHJHLQG-UHFFFAOYSA-N
XLogP-0.23
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-Diaminocyclohexa-2,4-diene-1-sulfonamide
CID 70634146
4-Aminocyclohexa-1,5-diene-1-sulfonamide
CID 123701954
N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide
CID 139478325
1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 152748480
1-Piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750203
1-Pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750264
4,4-diamino-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 154290813
molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
CID 177207639
N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
CID 147867702

Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide (CID 152748453) is 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide is CCN(CC)S(=O)(=O)C1(N)C=CC=CC1N.
What is the InChIKey of 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is NCQYNXFCHJHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-13(4-2)16(14,15)10(12)8-6-5-7-9(10)11/h5-9H,3-4,11-12H2,1-2H3.
What are the key properties of 1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide?
1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of -0.23, 4 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-diethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 152748453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).