2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide

C15H25N3O2S — CID 103968306

IUPAC2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccnc(N)c2)CC(C)(C)C1
InChIInChI=1S/C15H25N3O2S/c1-14(2)8-11(9-15(3,4)10-14)18-21(19,20)12-5-6-17-13(16)7-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17)
InChIKeyGTGABRPTDQLDLL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide

2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide (PubChem CID 103968306) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide
PubChem CID103968306
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccnc(N)c2)CC(C)(C)C1
InChIInChI=1S/C15H25N3O2S/c1-14(2)8-11(9-15(3,4)10-14)18-21(19,20)12-5-6-17-13(16)7-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17)
InChIKeyGTGABRPTDQLDLL-UHFFFAOYSA-N
XLogP2.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide (CID 103968306) is 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide is CC1(C)CC(NS(=O)(=O)c2ccnc(N)c2)CC(C)(C)C1.
What is the InChIKey of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide?
The InChIKey is GTGABRPTDQLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14(2)8-11(9-15(3,4)10-14)18-21(19,20)12-5-6-17-13(16)7-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17).
What are the key properties of 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide?
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide is sourced from PubChem (CID 103968306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).