[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

C19H28N2O3S — CID 97375381

IUPAC[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)s1
InChIInChI=1S/C19H28N2O3S/c1-15-2-3-16(25-15)12-20-13-17(18(22)21-6-10-24-11-7-21)19(14-20)4-8-23-9-5-19/h2-3,17H,4-14H2,1H3/t17-/m1/s1
InChIKeyZTOWIWSPFCHZFM-QGZVFWFLSA-N
MW364.51 g/mol
LogP2.14
Rot. Bonds3

About [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (PubChem CID 97375381) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
PubChem CID97375381
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)s1
InChIInChI=1S/C19H28N2O3S/c1-15-2-3-16(25-15)12-20-13-17(18(22)21-6-10-24-11-7-21)19(14-20)4-8-23-9-5-19/h2-3,17H,4-14H2,1H3/t17-/m1/s1
InChIKeyZTOWIWSPFCHZFM-QGZVFWFLSA-N
XLogP2.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375300
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 97375379
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
2-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598729
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155841370
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (CID 97375381) is [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is Cc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)s1.
What is the InChIKey of [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZTOWIWSPFCHZFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-2-3-16(25-15)12-20-13-17(18(22)21-6-10-24-11-7-21)19(14-20)4-8-23-9-5-19/h2-3,17H,4-14H2,1H3/t17-/m1/s1.
What are the key properties of [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 364.51 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).