9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane

C13H24N2S — CID 80586837

IUPAC9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESC1CSC(CN2CCNC3(CCCC3)C2)C1
InChIInChI=1S/C13H24N2S/c1-2-6-13(5-1)11-15(8-7-14-13)10-12-4-3-9-16-12/h12,14H,1-11H2
InChIKeyXTCWHYZXXHHKRN-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.10
Rot. Bonds2

About 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane

9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 80586837) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID80586837
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESC1CSC(CN2CCNC3(CCCC3)C2)C1
InChIInChI=1S/C13H24N2S/c1-2-6-13(5-1)11-15(8-7-14-13)10-12-4-3-9-16-12/h12,14H,1-11H2
InChIKeyXTCWHYZXXHHKRN-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 80586837) is 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane is C1CSC(CN2CCNC3(CCCC3)C2)C1.
What is the InChIKey of 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is XTCWHYZXXHHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-6-13(5-1)11-15(8-7-14-13)10-12-4-3-9-16-12/h12,14H,1-11H2.
What are the key properties of 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 240.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 80586837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).