N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide

C15H22N2O5S — CID 138049695

IUPACN-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESCc1ccoc1CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H22N2O5S/c1-12-2-6-21-13(12)10-16-14(18)17-5-7-22-15(11-17)3-8-23(19,20)9-4-15/h2,6H,3-5,7-11H2,1H3,(H,16,18)
InChIKeyMFJXWKRNSDROHT-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.08
Rot. Bonds2

About N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide

N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 138049695) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID138049695
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESCc1ccoc1CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H22N2O5S/c1-12-2-6-21-13(12)10-16-14(18)17-5-7-22-15(11-17)3-8-23(19,20)9-4-15/h2,6H,3-5,7-11H2,1H3,(H,16,18)
InChIKeyMFJXWKRNSDROHT-UHFFFAOYSA-N
XLogP1.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138010392
N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234226
N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234225
N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 128783740
(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
CID 164637886
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
9-methyl-N-[2-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 138381723
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771105
(3-methylfuran-2-yl)methylthiourea
CID 130597728
N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771103

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide (CID 138049695) is N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide is Cc1ccoc1CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is MFJXWKRNSDROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-12-2-6-21-13(12)10-16-14(18)17-5-7-22-15(11-17)3-8-23(19,20)9-4-15/h2,6H,3-5,7-11H2,1H3,(H,16,18).
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 138049695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).