9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide

C7H15N3O2S — CID 58964406

IUPAC9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide
SMILESCN1CCCC2(CNS(=O)(=O)N2)C1
InChIInChI=1S/C7H15N3O2S/c1-10-4-2-3-7(6-10)5-8-13(11,12)9-7/h8-9H,2-6H2,1H3
InChIKeyYIIJZUDKUZWUTK-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.11
Rot. Bonds

About 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide

9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 58964406) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID58964406
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide
SMILESCN1CCCC2(CNS(=O)(=O)N2)C1
InChIInChI=1S/C7H15N3O2S/c1-10-4-2-3-7(6-10)5-8-13(11,12)9-7/h8-9H,2-6H2,1H3
InChIKeyYIIJZUDKUZWUTK-UHFFFAOYSA-N
XLogP-1.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide (CID 58964406) is 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide is CN1CCCC2(CNS(=O)(=O)N2)C1.
What is the InChIKey of 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is YIIJZUDKUZWUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-10-4-2-3-7(6-10)5-8-13(11,12)9-7/h8-9H,2-6H2,1H3.
What are the key properties of 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide?
9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 205.28 g/mol, XLogP of -1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2λ6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 58964406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).