2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

C6H13N3O2S — CID 59929932

IUPAC2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)NCC2(CCNCC2)N1
InChIInChI=1S/C6H13N3O2S/c10-12(11)8-5-6(9-12)1-3-7-4-2-6/h7-9H,1-5H2
InChIKeyLIWHGNXHYBRYMN-UHFFFAOYSA-N
MW191.26 g/mol
LogP-1.45
Rot. Bonds

About 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 59929932) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID59929932
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)NCC2(CCNCC2)N1
InChIInChI=1S/C6H13N3O2S/c10-12(11)8-5-6(9-12)1-3-7-4-2-6/h7-9H,1-5H2
InChIKeyLIWHGNXHYBRYMN-UHFFFAOYSA-N
XLogP-1.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 59929932) is 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is O=S1(=O)NCC2(CCNCC2)N1.
What is the InChIKey of 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is LIWHGNXHYBRYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c10-12(11)8-5-6(9-12)1-3-7-4-2-6/h7-9H,1-5H2.
What are the key properties of 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 191.26 g/mol, XLogP of -1.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 59929932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).