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

C14H20N2O2S — CID 91921686

IUPAC[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H20N2O2S/c17-8-12-7-16(13(18)11-1-6-19-9-11)10-14(12)2-4-15-5-3-14/h1,6,9,12,15,17H,2-5,7-8,10H2
InChIKeyCCYJTZWBOFRSPI-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.18
Rot. Bonds2

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

[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (PubChem CID 91921686) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
PubChem CID91921686
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H20N2O2S/c17-8-12-7-16(13(18)11-1-6-19-9-11)10-14(12)2-4-15-5-3-14/h1,6,9,12,15,17H,2-5,7-8,10H2
InChIKeyCCYJTZWBOFRSPI-UHFFFAOYSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 91921670
(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 146071861
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
CID 146064641
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 119930739
[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-thiophen-3-ylmethanone
CID 146070384
[4-(methoxymethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827685
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
[4-[4-(methoxymethyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624280
[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91921993

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (CID 91921686) is [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC(CO)C2(CCNCC2)C1.
What is the InChIKey of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is CCYJTZWBOFRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-8-12-7-16(13(18)11-1-6-19-9-11)10-14(12)2-4-15-5-3-14/h1,6,9,12,15,17H,2-5,7-8,10H2.
What are the key properties of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 280.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91921686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).