3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C10H20N2OS — CID 146642338

IUPAC3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCSN1CCC2(CC1)COC(C)C2N
InChIInChI=1S/C10H20N2OS/c1-8-9(11)10(7-13-8)3-5-12(14-2)6-4-10/h8-9H,3-7,11H2,1-2H3
InChIKeyMASFSOVPUFKKGZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.09
Rot. Bonds1

About 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine

3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146642338) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146642338
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCSN1CCC2(CC1)COC(C)C2N
InChIInChI=1S/C10H20N2OS/c1-8-9(11)10(7-13-8)3-5-12(14-2)6-4-10/h8-9H,3-7,11H2,1-2H3
InChIKeyMASFSOVPUFKKGZ-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146642338) is 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CSN1CCC2(CC1)COC(C)C2N.
What is the InChIKey of 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MASFSOVPUFKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-9(11)10(7-13-8)3-5-12(14-2)6-4-10/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 216.35 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-methylsulfanyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146642338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).