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

C17H28N2S — CID 64839410

IUPAC3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(Cc2ccsc2)C2(CCCCC2)CN1
InChIInChI=1S/C17H28N2S/c1-2-6-16-12-19(11-15-7-10-20-13-15)17(14-18-16)8-4-3-5-9-17/h7,10,13,16,18H,2-6,8-9,11-12,14H2,1H3
InChIKeyPTERCSBNILDSOR-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.02
Rot. Bonds4

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

3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64839410) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64839410
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(Cc2ccsc2)C2(CCCCC2)CN1
InChIInChI=1S/C17H28N2S/c1-2-6-16-12-19(11-15-7-10-20-13-15)17(14-18-16)8-4-3-5-9-17/h7,10,13,16,18H,2-6,8-9,11-12,14H2,1H3
InChIKeyPTERCSBNILDSOR-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 65490573
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine
CID 64839573
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64845931
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845332
8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64841020
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
6-butan-2-yl-8-propyl-6,9-diazaspiro[4.5]decane
CID 79444829

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64839410) is 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane is CCCC1CN(Cc2ccsc2)C2(CCCCC2)CN1.
What is the InChIKey of 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is PTERCSBNILDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-6-16-12-19(11-15-7-10-20-13-15)17(14-18-16)8-4-3-5-9-17/h7,10,13,16,18H,2-6,8-9,11-12,14H2,1H3.
What are the key properties of 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64839410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).