8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane

C62H116N8O6S3 — CID 159243988

IUPAC8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(C1)CS(=O)(=O)C2.CN1CC2(CCCCC2)C1.CN1CC2(CCS2(=O)=O)C1.CN1CCC2(CCCC2)CC1.CN1CCC2(CCOC2)CC1.CN1CCCC2(CCC2)C1.C[C@@H]1COC12CNC2.C[C@@H]1CSCC12CNC2
InChIInChI=1S/C10H19N.C9H17NO.2C9H17N.C7H13NS.2C6H11NO2S.C6H11NO/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-10-5-2-9(3-6-10)4-7-11-8-9;1-10-7-3-6-9(8-10)4-2-5-9;1-10-7-9(8-10)5-3-2-4-6-9;1-6-2-9-5-7(6)3-8-4-7;1-7-2-6(3-7)4-10(8,9)5-6;1-7-4-6(5-7)2-3-10(6,8)9;1-5-2-8-6(5)3-7-4-6/h2-9H2,1H3;2-8H2,1H3;2*2-8H2,1H3;6,8H,2-5H2,1H3;2*2-5H2,1H3;5,7H,2-4H2,1H3/t;;;;6-;;;5-/m....1..1/s1
InChIKeyKULGTNKORLZXPG-DGYXUUHDSA-N
MW1165.86 g/mol
LogP6.95
Rot. Bonds

About 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane

8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane (PubChem CID 159243988) has the molecular formula C62H116N8O6S3 and a molecular weight of 1165.86 g/mol. Its IUPAC name is 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
PubChem CID159243988
Molecular FormulaC62H116N8O6S3
Molecular Weight1165.86 g/mol
Exact Mass1164.82
IUPAC Name8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(C1)CS(=O)(=O)C2.CN1CC2(CCCCC2)C1.CN1CC2(CCS2(=O)=O)C1.CN1CCC2(CCCC2)CC1.CN1CCC2(CCOC2)CC1.CN1CCCC2(CCC2)C1.C[C@@H]1COC12CNC2.C[C@@H]1CSCC12CNC2
InChIInChI=1S/C10H19N.C9H17NO.2C9H17N.C7H13NS.2C6H11NO2S.C6H11NO/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-10-5-2-9(3-6-10)4-7-11-8-9;1-10-7-3-6-9(8-10)4-2-5-9;1-10-7-9(8-10)5-3-2-4-6-9;1-6-2-9-5-7(6)3-8-4-7;1-7-2-6(3-7)4-10(8,9)5-6;1-7-4-6(5-7)2-3-10(6,8)9;1-5-2-8-6(5)3-7-4-6/h2-9H2,1H3;2-8H2,1H3;2*2-8H2,1H3;6,8H,2-5H2,1H3;2*2-5H2,1H3;5,7H,2-4H2,1H3/t;;;;6-;;;5-/m....1..1/s1
InChIKeyKULGTNKORLZXPG-DGYXUUHDSA-N
XLogP6.95
TPSA130.24 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.86
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The IUPAC name of 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane (CID 159243988) is 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane is CN1CC2(C1)CS(=O)(=O)C2.CN1CC2(CCCCC2)C1.CN1CC2(CCS2(=O)=O)C1.CN1CCC2(CCCC2)CC1.CN1CCC2(CCOC2)CC1.CN1CCCC2(CCC2)C1.C[C@@H]1COC12CNC2.C[C@@H]1CSCC12CNC2.
What is the InChIKey of 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The InChIKey is KULGTNKORLZXPG-DGYXUUHDSA-N. The full InChI is InChI=1S/C10H19N.C9H17NO.2C9H17N.C7H13NS.2C6H11NO2S.C6H11NO/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-10-5-2-9(3-6-10)4-7-11-8-9;1-10-7-3-6-9(8-10)4-2-5-9;1-10-7-9(8-10)5-3-2-4-6-9;1-6-2-9-5-7(6)3-8-4-7;1-7-2-6(3-7)4-10(8,9)5-6;1-7-4-6(5-7)2-3-10(6,8)9;1-5-2-8-6(5)3-7-4-6/h2-9H2,1H3;2-8H2,1H3;2*2-8H2,1H3;6,8H,2-5H2,1H3;2*2-5H2,1H3;5,7H,2-4H2,1H3/t;;;;6-;;;5-/m....1..1/s1.
What are the key properties of 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane has a molecular weight of 1165.86 g/mol, XLogP of 6.95, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;6-methyl-6-azaspiro[3.5]nonane;6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;6-methyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;8-methyl-2-oxa-8-azaspiro[4.5]decane;(3R)-3-methyl-1-oxa-6-azaspiro[3.3]heptane;(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 159243988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).