N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

C14H20N2O3S — CID 71785150

IUPACN-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1cccs1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H20N2O3S/c17-13(15-11-12-3-1-10-20-12)16-6-4-14(5-7-16)18-8-2-9-19-14/h1,3,10H,2,4-9,11H2,(H,15,17)
InChIKeyWFYLOCBMAWQHAX-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.19
Rot. Bonds2

About N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 71785150) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID71785150
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1cccs1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H20N2O3S/c17-13(15-11-12-3-1-10-20-12)16-6-4-14(5-7-16)18-8-2-9-19-14/h1,3,10H,2,4-9,11H2,(H,15,17)
InChIKeyWFYLOCBMAWQHAX-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 56764711
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
CID 135091799
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-(2-methylpyrazole-3-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138378141
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
4-(2-methyl-1,3-thiazole-4-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138379787
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 71785150) is N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCc1cccs1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is WFYLOCBMAWQHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-13(15-11-12-3-1-10-20-12)16-6-4-14(5-7-16)18-8-2-9-19-14/h1,3,10H,2,4-9,11H2,(H,15,17).
What are the key properties of N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 71785150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).