6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine

C15H19N3O2S2 — CID 53073262

IUPAC6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(c1ccc(NCc2cccs2)nn1)C1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c19-22(20,13-6-2-1-3-7-13)15-9-8-14(17-18-15)16-11-12-5-4-10-21-12/h4-5,8-10,13H,1-3,6-7,11H2,(H,16,17)
InChIKeyRPKGEWXSTRDVAK-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.26
Rot. Bonds5

About 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine

6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine (PubChem CID 53073262) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
PubChem CID53073262
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESO=S(=O)(c1ccc(NCc2cccs2)nn1)C1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c19-22(20,13-6-2-1-3-7-13)15-9-8-14(17-18-15)16-11-12-5-4-10-21-12/h4-5,8-10,13H,1-3,6-7,11H2,(H,16,17)
InChIKeyRPKGEWXSTRDVAK-UHFFFAOYSA-N
XLogP3.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine (CID 53073262) is 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine is O=S(=O)(c1ccc(NCc2cccs2)nn1)C1CCCCC1.
What is the InChIKey of 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The InChIKey is RPKGEWXSTRDVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c19-22(20,13-6-2-1-3-7-13)15-9-8-14(17-18-15)16-11-12-5-4-10-21-12/h4-5,8-10,13H,1-3,6-7,11H2,(H,16,17).
What are the key properties of 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine has a molecular weight of 337.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 53073262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).