2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide

C15H26N2O2S — CID 67590135

IUPAC2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC(C)=C(C)C(C)(C2CCNCC2)C1S(N)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-10-9-11(2)14(20(16,18)19)15(4,12(10)3)13-5-7-17-8-6-13/h9,13-14,17H,5-8H2,1-4H3,(H2,16,18,19)
InChIKeyGXAOJNBVYOTYKC-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.95
Rot. Bonds2

About 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide

2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67590135) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID67590135
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC(C)=C(C)C(C)(C2CCNCC2)C1S(N)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-10-9-11(2)14(20(16,18)19)15(4,12(10)3)13-5-7-17-8-6-13/h9,13-14,17H,5-8H2,1-4H3,(H2,16,18,19)
InChIKeyGXAOJNBVYOTYKC-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide (CID 67590135) is 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide is CC1=CC(C)=C(C)C(C)(C2CCNCC2)C1S(N)(=O)=O.
What is the InChIKey of 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is GXAOJNBVYOTYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10-9-11(2)14(20(16,18)19)15(4,12(10)3)13-5-7-17-8-6-13/h9,13-14,17H,5-8H2,1-4H3,(H2,16,18,19).
What are the key properties of 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide?
2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67590135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).