9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane

C19H26N2OS — CID 131644646

IUPAC9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCCC3(CCN(Cc4ccsc4)C3)C2)o1
InChIInChI=1S/C19H26N2OS/c1-16-3-4-18(22-16)12-20-8-2-6-19(14-20)7-9-21(15-19)11-17-5-10-23-13-17/h3-5,10,13H,2,6-9,11-12,14-15H2,1H3
InChIKeyPZQPKGSIKJNPQD-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.14
Rot. Bonds4

About 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane

9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 131644646) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID131644646
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCCC3(CCN(Cc4ccsc4)C3)C2)o1
InChIInChI=1S/C19H26N2OS/c1-16-3-4-18(22-16)12-20-8-2-6-19(14-20)7-9-21(15-19)11-17-5-10-23-13-17/h3-5,10,13H,2,6-9,11-12,14-15H2,1H3
InChIKeyPZQPKGSIKJNPQD-UHFFFAOYSA-N
XLogP4.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
1-[(5-ethylfuran-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 3343047
[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
CID 45189906
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372753
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-(2-methoxyethyl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131647411
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
8-[(5-methylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696960

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 131644646) is 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane is Cc1ccc(CN2CCCC3(CCN(Cc4ccsc4)C3)C2)o1.
What is the InChIKey of 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is PZQPKGSIKJNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-16-3-4-18(22-16)12-20-8-2-6-19(14-20)7-9-21(15-19)11-17-5-10-23-13-17/h3-5,10,13H,2,6-9,11-12,14-15H2,1H3.
What are the key properties of 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 330.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131644646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).