N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C17H24N2O3S — CID 110134115

IUPACN-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2cccs2)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-12(20)18-14-10-15(16-4-3-9-23-16)22-17(11-14)5-7-19(8-6-17)13(2)21/h3-4,9,14-15H,5-8,10-11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyOEPLOPBOKSJEED-HUUCEWRRSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds2

About N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110134115) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110134115
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2cccs2)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-12(20)18-14-10-15(16-4-3-9-23-16)22-17(11-14)5-7-19(8-6-17)13(2)21/h3-4,9,14-15H,5-8,10-11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyOEPLOPBOKSJEED-HUUCEWRRSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110134120
N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110152972
N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
N-[(2S,4S)-9-acetyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-ethylacetamide
CID 110136138
N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide
CID 110134107
1-[(2S,4S)-4-[cyclopropylmethyl(ethyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 110136168
N-[(5R,9R)-2-(2-thiophen-2-ylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420129
N-[(1R,5S)-9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
CID 1467158
[(2S,4S)-4-(ethylamino)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone
CID 110136156
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
[(4R)-4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 98895872

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 110134115) is N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](c2cccs2)OC2(CCN(C(C)=O)CC2)C1.
What is the InChIKey of N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is OEPLOPBOKSJEED-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(20)18-14-10-15(16-4-3-9-23-16)22-17(11-14)5-7-19(8-6-17)13(2)21/h3-4,9,14-15H,5-8,10-11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-9-acetyl-2-thiophen-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110134115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).