N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H23N3O3S — CID 131659642

IUPACN-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=NOC2(CCN(Cc3cccs3)C2)C1
InChIInChI=1S/C17H23N3O3S/c21-16(18-10-13-3-1-7-22-13)15-9-17(23-19-15)5-6-20(12-17)11-14-4-2-8-24-14/h2,4,8,13H,1,3,5-7,9-12H2,(H,18,21)
InChIKeyJBVMSTKGWKDUET-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.76
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131659642) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID131659642
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=NOC2(CCN(Cc3cccs3)C2)C1
InChIInChI=1S/C17H23N3O3S/c21-16(18-10-13-3-1-7-22-13)15-9-17(23-19-15)5-6-20(12-17)11-14-4-2-8-24-14/h2,4,8,13H,1,3,5-7,9-12H2,(H,18,21)
InChIKeyJBVMSTKGWKDUET-UHFFFAOYSA-N
XLogP1.76
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-[(6-methyl-2-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124793741
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420
3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131645622
(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491386
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
(5S)-N-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491239
(5S)-N-(pyridin-4-ylmethyl)-9-(2-thiophen-2-ylacetyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97396100
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
2-methyl-1-(oxolan-2-ylmethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111138245

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131659642) is N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCC1CCCO1)C1=NOC2(CCN(Cc3cccs3)C2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is JBVMSTKGWKDUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16(18-10-13-3-1-7-22-13)15-9-17(23-19-15)5-6-20(12-17)11-14-4-2-8-24-14/h2,4,8,13H,1,3,5-7,9-12H2,(H,18,21).
What are the key properties of N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131659642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).