11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane

C15H24N2S — CID 64858031

IUPAC11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESc1csc(CN2CCCNC3(CCCCC3)C2)c1
InChIInChI=1S/C15H24N2S/c1-2-7-15(8-3-1)13-17(10-5-9-16-15)12-14-6-4-11-18-14/h4,6,11,16H,1-3,5,7-10,12-13H2
InChIKeyRRKIPTSWKWGCTR-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.25
Rot. Bonds2

About 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane

11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64858031) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64858031
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESc1csc(CN2CCCNC3(CCCCC3)C2)c1
InChIInChI=1S/C15H24N2S/c1-2-7-15(8-3-1)13-17(10-5-9-16-15)12-14-6-4-11-18-14/h4,6,11,16H,1-3,5,7-10,12-13H2
InChIKeyRRKIPTSWKWGCTR-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane (CID 64858031) is 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane is c1csc(CN2CCCNC3(CCCCC3)C2)c1.
What is the InChIKey of 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is RRKIPTSWKWGCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-7-15(8-3-1)13-17(10-5-9-16-15)12-14-6-4-11-18-14/h4,6,11,16H,1-3,5,7-10,12-13H2.
What are the key properties of 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 264.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).