(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C21H34N2O2S — CID 124789824

IUPAC(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CN(Cc2ccsc2)CC12CCN(CC1CCOCC1)CC2
InChIInChI=1S/C21H34N2O2S/c1-24-15-20-14-23(13-19-4-11-26-16-19)17-21(20)5-7-22(8-6-21)12-18-2-9-25-10-3-18/h4,11,16,18,20H,2-3,5-10,12-15,17H2,1H3/t20-/m1/s1
InChIKeyGIRXPWBXCHHWJK-HXUWFJFHSA-N
MW378.58 g/mol
LogP3.34
Rot. Bonds6

About (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane

(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 124789824) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID124789824
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC Name(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CN(Cc2ccsc2)CC12CCN(CC1CCOCC1)CC2
InChIInChI=1S/C21H34N2O2S/c1-24-15-20-14-23(13-19-4-11-26-16-19)17-21(20)5-7-22(8-6-21)12-18-2-9-25-10-3-18/h4,11,16,18,20H,2-3,5-10,12-15,17H2,1H3/t20-/m1/s1
InChIKeyGIRXPWBXCHHWJK-HXUWFJFHSA-N
XLogP3.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 133139574
cyclopent-3-en-1-yl-[(4R)-4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124789157
[4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131648230
4-(methoxymethyl)-8-propan-2-yl-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155860609
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
(4S,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487490
(4R,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487085
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 124789824) is (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane is COC[C@H]1CN(Cc2ccsc2)CC12CCN(CC1CCOCC1)CC2.
What is the InChIKey of (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is GIRXPWBXCHHWJK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-24-15-20-14-23(13-19-4-11-26-16-19)17-21(20)5-7-22(8-6-21)12-18-2-9-25-10-3-18/h4,11,16,18,20H,2-3,5-10,12-15,17H2,1H3/t20-/m1/s1.
What are the key properties of (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 378.58 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 124789824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).