1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol

C11H21NO2S — CID 15448993

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
SMILESCC(C)(S)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2S/c1-10(2,15)9-12-5-3-11(4-6-12)13-7-8-14-11/h15H,3-9H2,1-2H3
InChIKeyRHWLOPWAEQAHED-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.53
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol (PubChem CID 15448993) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
PubChem CID15448993
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
SMILESCC(C)(S)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2S/c1-10(2,15)9-12-5-3-11(4-6-12)13-7-8-14-11/h15H,3-9H2,1-2H3
InChIKeyRHWLOPWAEQAHED-UHFFFAOYSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol (CID 15448993) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol is CC(C)(S)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol?
The InChIKey is RHWLOPWAEQAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2,15)9-12-5-3-11(4-6-12)13-7-8-14-11/h15H,3-9H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol has a molecular weight of 231.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol is sourced from PubChem (CID 15448993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).