9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane

C15H24N2S — CID 65245766

IUPAC9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCNC3(CCCC3)C2)sc1C
InChIInChI=1S/C15H24N2S/c1-12-9-14(18-13(12)2)10-17-8-7-16-15(11-17)5-3-4-6-15/h9,16H,3-8,10-11H2,1-2H3
InChIKeyDGCOUIKYLRXSBO-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.08
Rot. Bonds2

About 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane

9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 65245766) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID65245766
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCNC3(CCCC3)C2)sc1C
InChIInChI=1S/C15H24N2S/c1-12-9-14(18-13(12)2)10-17-8-7-16-15(11-17)5-3-4-6-15/h9,16H,3-8,10-11H2,1-2H3
InChIKeyDGCOUIKYLRXSBO-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 65245766) is 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane is Cc1cc(CN2CCNC3(CCCC3)C2)sc1C.
What is the InChIKey of 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is DGCOUIKYLRXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-9-14(18-13(12)2)10-17-8-7-16-15(11-17)5-3-4-6-15/h9,16H,3-8,10-11H2,1-2H3.
What are the key properties of 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 264.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65245766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).