6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane

C16H31NO2S — CID 164916202

IUPAC6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCS(=O)CCCCCCCCCCN1CC2(COC2)C1
InChIInChI=1S/C16H31NO2S/c1-20(18)11-9-7-5-3-2-4-6-8-10-17-12-16(13-17)14-19-15-16/h2-15H2,1H3
InChIKeyJFSOYQAEPNHMAT-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.82
Rot. Bonds11

About 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane

6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 164916202) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID164916202
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCS(=O)CCCCCCCCCCN1CC2(COC2)C1
InChIInChI=1S/C16H31NO2S/c1-20(18)11-9-7-5-3-2-4-6-8-10-17-12-16(13-17)14-19-15-16/h2-15H2,1H3
InChIKeyJFSOYQAEPNHMAT-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane
CID 176923726
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 176757671
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
3-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)but-3-en-2-one
CID 172623380
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane
CID 122140145
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexan-1-ol
CID 107849721
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
CID 167476884
1-(3-methylsulfinylpropyl)-1,4-diazepane
CID 84672724

Frequently Asked Questions

What is the IUPAC name of 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane (CID 164916202) is 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane is CS(=O)CCCCCCCCCCN1CC2(COC2)C1.
What is the InChIKey of 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is JFSOYQAEPNHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-20(18)11-9-7-5-3-2-4-6-8-10-17-12-16(13-17)14-19-15-16/h2-15H2,1H3.
What are the key properties of 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane?
6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 301.50 g/mol, XLogP of 2.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 164916202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).