3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

C16H26N2S — CID 64875517

IUPAC3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-15(2)12-17-16(8-4-3-5-9-16)13-18(15)11-14-7-6-10-19-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyIWWFNFYAAFTMQS-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.63
Rot. Bonds2

About 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64875517) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64875517
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-15(2)12-17-16(8-4-3-5-9-16)13-18(15)11-14-7-6-10-19-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyIWWFNFYAAFTMQS-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64875517) is 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1Cc1cccs1.
What is the InChIKey of 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is IWWFNFYAAFTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(2)12-17-16(8-4-3-5-9-16)13-18(15)11-14-7-6-10-19-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 278.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).