2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C13H24N2S — CID 120907139

IUPAC2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)CCN(CC1CCSC1)C2
InChIInChI=1S/C13H24N2S/c1-8-16-10-12(1)9-15-7-4-13(11-15)2-5-14-6-3-13/h12,14H,1-11H2
InChIKeyJNDIMTAKGWCTBL-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.82
Rot. Bonds2

About 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane

2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 120907139) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID120907139
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)CCN(CC1CCSC1)C2
InChIInChI=1S/C13H24N2S/c1-8-16-10-12(1)9-15-7-4-13(11-15)2-5-14-6-3-13/h12,14H,1-11H2
InChIKeyJNDIMTAKGWCTBL-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 120907139) is 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane is C1CC2(CCN1)CCN(CC1CCSC1)C2.
What is the InChIKey of 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is JNDIMTAKGWCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-8-16-10-12(1)9-15-7-4-13(11-15)2-5-14-6-3-13/h12,14H,1-11H2.
What are the key properties of 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 240.42 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).