8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H21NO2S — CID 115647631

IUPAC8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCSCCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2S/c1-15-10-2-5-12-6-3-11(4-7-12)13-8-9-14-11/h2-10H2,1H3
InChIKeyNVKCDRWIKPGCDC-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.58
Rot. Bonds4

About 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 115647631) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID115647631
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCSCCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2S/c1-15-10-2-5-12-6-3-11(4-7-12)13-8-9-14-11/h2-10H2,1H3
InChIKeyNVKCDRWIKPGCDC-UHFFFAOYSA-N
XLogP1.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 114448872
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
(1S,3R)-7-(3-methylsulfanylpropyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72893259
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
CID 15448993

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 115647631) is 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is CSCCCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is NVKCDRWIKPGCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-10-2-5-12-6-3-11(4-7-12)13-8-9-14-11/h2-10H2,1H3.
What are the key properties of 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 231.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 115647631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).