1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone

C20H30N2O2S — CID 118739157

IUPAC1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C20H30N2O2S/c23-19(12-18-4-11-25-14-18)22-8-6-20(16-22)5-1-7-21(15-20)13-17-2-9-24-10-3-17/h4,11,14,17H,1-3,5-10,12-13,15-16H2
InChIKeyLETBDPCLGNISFC-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-3-ylethanone

1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 118739157) 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-3-ylethanone.

Molecular Properties

Compound Name1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
PubChem CID118739157
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-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CCCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C20H30N2O2S/c23-19(12-18-4-11-25-14-18)22-8-6-20(16-22)5-1-7-21(15-20)13-17-2-9-24-10-3-17/h4,11,14,17H,1-3,5-10,12-13,15-16H2
InChIKeyLETBDPCLGNISFC-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-3-ylethanone with MolForge

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Related Compounds

1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 174215008
1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 25309622
(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372753
1-[(5R)-9-[[(3R)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 98783278
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482486
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 45215852

Frequently Asked Questions

What is the IUPAC name of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (CID 118739157) is 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)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-3-ylethanone?
The InChIKey is LETBDPCLGNISFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-19(12-18-4-11-25-14-18)22-8-6-20(16-22)5-1-7-21(15-20)13-17-2-9-24-10-3-17/h4,11,14,17H,1-3,5-10,12-13,15-16H2.
What are the key properties of 1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-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-3-ylethanone is sourced from PubChem (CID 118739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).