1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone

C20H30N2O2S — CID 118739161

IUPAC1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C20H30N2O2S/c23-19(13-18-3-1-12-25-18)22-9-7-20(16-22)6-2-8-21(15-20)14-17-4-10-24-11-5-17/h1,3,12,17H,2,4-11,13-16H2
InChIKeyXNLPADIMVDBNEJ-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.03
Rot. Bonds4

About 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone

1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone (PubChem CID 118739161) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
PubChem CID118739161
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C20H30N2O2S/c23-19(13-18-3-1-12-25-18)22-9-7-20(16-22)6-2-8-21(15-20)14-17-4-10-24-11-5-17/h1,3,12,17H,2,4-11,13-16H2
InChIKeyXNLPADIMVDBNEJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
1-[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97459922
1-(1-Ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone
CID 97491862
1-[1-(2-Methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
CID 97491874
1-[1-(Cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
CID 97491883
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739454
1-[2-(2-Methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone
CID 118743054
1-[(3aR,7aR)-5-(oxolan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-thiophen-2-ylethanone
CID 127023109
3-(3-Methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
CID 171346967

Frequently Asked Questions

What is the IUPAC name of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone (CID 118739161) is 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC2(CCCN(CC3CCOCC3)C2)C1.
What is the InChIKey of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone?
The InChIKey is XNLPADIMVDBNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-19(13-18-3-1-12-25-18)22-9-7-20(16-22)6-2-8-21(15-20)14-17-4-10-24-11-5-17/h1,3,12,17H,2,4-11,13-16H2.
What are the key properties of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone?
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone has a molecular weight of 362.54 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118739161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).