3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one

C21H30N2O2S2 — CID 4590498

IUPAC3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
SMILESO=C(Cc1cccs1)N1CCC2(CC1)SCCN2C(=O)CCC1CCCC1
InChIInChI=1S/C21H30N2O2S2/c24-19(8-7-17-4-1-2-5-17)23-13-15-27-21(23)9-11-22(12-10-21)20(25)16-18-6-3-14-26-18/h3,6,14,17H,1-2,4-5,7-13,15-16H2
InChIKeyQLWFVISCNJHFLT-UHFFFAOYSA-N
MW406.62 g/mol
LogP4.16
Rot. Bonds5

About 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one

3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one (PubChem CID 4590498) has the molecular formula C21H30N2O2S2 and a molecular weight of 406.62 g/mol. Its IUPAC name is 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
PubChem CID4590498
Molecular FormulaC21H30N2O2S2
Molecular Weight406.62 g/mol
Exact Mass406.17
IUPAC Name3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
SMILESO=C(Cc1cccs1)N1CCC2(CC1)SCCN2C(=O)CCC1CCCC1
InChIInChI=1S/C21H30N2O2S2/c24-19(8-7-17-4-1-2-5-17)23-13-15-27-21(23)9-11-22(12-10-21)20(25)16-18-6-3-14-26-18/h3,6,14,17H,1-2,4-5,7-13,15-16H2
InChIKeyQLWFVISCNJHFLT-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one (CID 4590498) is 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one is O=C(Cc1cccs1)N1CCC2(CC1)SCCN2C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one?
The InChIKey is QLWFVISCNJHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S2/c24-19(8-7-17-4-1-2-5-17)23-13-15-27-21(23)9-11-22(12-10-21)20(25)16-18-6-3-14-26-18/h3,6,14,17H,1-2,4-5,7-13,15-16H2.
What are the key properties of 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one?
3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one has a molecular weight of 406.62 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one is sourced from PubChem (CID 4590498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).