[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

C18H26N2O2S — CID 91921854

IUPAC[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C18H26N2O2S/c21-11-15-10-20(16-2-1-3-16)13-18(15)5-7-19(8-6-18)17(22)14-4-9-23-12-14/h4,9,12,15-16,21H,1-3,5-8,10-11,13H2
InChIKeyBPTNNKCPJFRMTL-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.45
Rot. Bonds3

About [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (PubChem CID 91921854) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
PubChem CID91921854
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C18H26N2O2S/c21-11-15-10-20(16-2-1-3-16)13-18(15)5-7-19(8-6-18)17(22)14-4-9-23-12-14/h4,9,12,15-16,21H,1-3,5-8,10-11,13H2
InChIKeyBPTNNKCPJFRMTL-UHFFFAOYSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (CID 91921854) is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)CN(C1CCC1)CC2CO.
What is the InChIKey of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The InChIKey is BPTNNKCPJFRMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-11-15-10-20(16-2-1-3-16)13-18(15)5-7-19(8-6-18)17(22)14-4-9-23-12-14/h4,9,12,15-16,21H,1-3,5-8,10-11,13H2.
What are the key properties of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone has a molecular weight of 334.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91921854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).