8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C14H28N2S — CID 130380849

IUPAC8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCSC(C)N1CCC2(CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H28N2S/c1-12(2)16-10-7-14(11-16)5-8-15(9-6-14)13(3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyGAXLUEATQYGLMR-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.89
Rot. Bonds3

About 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 130380849) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID130380849
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCSC(C)N1CCC2(CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H28N2S/c1-12(2)16-10-7-14(11-16)5-8-15(9-6-14)13(3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyGAXLUEATQYGLMR-UHFFFAOYSA-N
XLogP2.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 130380849) is 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CSC(C)N1CCC2(CCN(C(C)C)C2)CC1.
What is the InChIKey of 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is GAXLUEATQYGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12(2)16-10-7-14(11-16)5-8-15(9-6-14)13(3)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 256.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 130380849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).