N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide

C13H18N2O2S2 — CID 56764711

IUPACN-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1cccs1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H18N2O2S2/c16-12(14-10-11-2-1-8-18-11)15-5-3-13(4-6-15)17-7-9-19-13/h1-2,8H,3-7,9-10H2,(H,14,16)
InChIKeyRJORKJZYIOYLOY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.51
Rot. Bonds2

About N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide

N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 56764711) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID56764711
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1cccs1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H18N2O2S2/c16-12(14-10-11-2-1-8-18-11)15-5-3-13(4-6-15)17-7-9-19-13/h1-2,8H,3-7,9-10H2,(H,14,16)
InChIKeyRJORKJZYIOYLOY-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
CID 135091799
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 90510786
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 71783425
2-[2-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90510674
2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510652

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide (CID 56764711) is N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide is O=C(NCc1cccs1)N1CCC2(CC1)OCCS2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is RJORKJZYIOYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c16-12(14-10-11-2-1-8-18-11)15-5-3-13(4-6-15)17-7-9-19-13/h1-2,8H,3-7,9-10H2,(H,14,16).
What are the key properties of N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.51, 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-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56764711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).