6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine

C14H21N3OS — CID 133377821

IUPAC6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
SMILESCSc1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H21N3OS/c1-19-13-5-4-12(16-17-13)15-11-6-9-18-14(10-11)7-2-3-8-14/h4-5,11H,2-3,6-10H2,1H3,(H,15,16)
InChIKeyASDJLDVZMIQEJD-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.10
Rot. Bonds3

About 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine

6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine (PubChem CID 133377821) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
PubChem CID133377821
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
SMILESCSc1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H21N3OS/c1-19-13-5-4-12(16-17-13)15-11-6-9-18-14(10-11)7-2-3-8-14/h4-5,11H,2-3,6-10H2,1H3,(H,15,16)
InChIKeyASDJLDVZMIQEJD-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 71847338
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
CID 84589069
6-(6-oxaspiro[4.5]decan-9-ylamino)pyrazine-2-carboxamide
CID 133377773
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The IUPAC name of 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine (CID 133377821) is 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The canonical SMILES for 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine is CSc1ccc(NC2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
The InChIKey is ASDJLDVZMIQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-19-13-5-4-12(16-17-13)15-11-6-9-18-14(10-11)7-2-3-8-14/h4-5,11H,2-3,6-10H2,1H3,(H,15,16).
What are the key properties of 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine?
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine has a molecular weight of 279.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine is sourced from PubChem (CID 133377821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).