8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C18H28N2O2S — CID 131658697

IUPAC8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1
InChIInChI=1S/C18H28N2O2S/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21)
InChIKeyLXGOTDNQYMJDQU-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.83
Rot. Bonds5

About 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 131658697) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID131658697
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1
InChIInChI=1S/C18H28N2O2S/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21)
InChIKeyLXGOTDNQYMJDQU-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850378
N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131657633
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277457

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 131658697) is 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is CC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1.
What is the InChIKey of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is LXGOTDNQYMJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21).
What are the key properties of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131658697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).