6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine

C15H25N3O2S — CID 53073326

IUPAC6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)21(19,20)14-11-10-13(17-18-14)16-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyXYGDUWFHJLVLBE-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.18
Rot. Bonds3

About 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine

6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine (PubChem CID 53073326) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine
PubChem CID53073326
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)21(19,20)14-11-10-13(17-18-14)16-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyXYGDUWFHJLVLBE-UHFFFAOYSA-N
XLogP3.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine (CID 53073326) is 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine?
The InChIKey is XYGDUWFHJLVLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)21(19,20)14-11-10-13(17-18-14)16-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine?
6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine is sourced from PubChem (CID 53073326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).