N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide

C18H22N2O3S — CID 131662425

IUPACN-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1COC2(CCN(Cc3ccco3)CC2)C1)c1cccs1
InChIInChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)19-14-11-18(23-13-14)5-7-20(8-6-18)12-15-3-1-9-22-15/h1-4,9-10,14H,5-8,11-13H2,(H,19,21)
InChIKeyBKTROAXCZBJBPD-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.89
Rot. Bonds4

About N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide

N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide (PubChem CID 131662425) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide
PubChem CID131662425
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1COC2(CCN(Cc3ccco3)CC2)C1)c1cccs1
InChIInChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)19-14-11-18(23-13-14)5-7-20(8-6-18)12-15-3-1-9-22-15/h1-4,9-10,14H,5-8,11-13H2,(H,19,21)
InChIKeyBKTROAXCZBJBPD-UHFFFAOYSA-N
XLogP2.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843037
N-[8-[(3,4-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843030
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359
(3S,5R)-7-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486289
(3R)-8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371301
N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 131663425
[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 131658564
(4R)-9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895334
9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 131648640
(3S,5S)-N-(3-fluorophenyl)-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370963
7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134071125
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286

Frequently Asked Questions

What is the IUPAC name of N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide (CID 131662425) is N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide is O=C(NC1COC2(CCN(Cc3ccco3)CC2)C1)c1cccs1.
What is the InChIKey of N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide?
The InChIKey is BKTROAXCZBJBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)19-14-11-18(23-13-14)5-7-20(8-6-18)12-15-3-1-9-22-15/h1-4,9-10,14H,5-8,11-13H2,(H,19,21).
What are the key properties of N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide?
N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 131662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).