N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide

C17H30N2O2S — CID 119939729

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCCOC1CC(N(C)C(=O)CC2CSCCN2)C12CCCC2
InChIInChI=1S/C17H30N2O2S/c1-3-21-15-11-14(17(15)6-4-5-7-17)19(2)16(20)10-13-12-22-9-8-18-13/h13-15,18H,3-12H2,1-2H3
InChIKeyYETNHIPJPSQEOJ-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.28
Rot. Bonds5

About N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119939729) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID119939729
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCCOC1CC(N(C)C(=O)CC2CSCCN2)C12CCCC2
InChIInChI=1S/C17H30N2O2S/c1-3-21-15-11-14(17(15)6-4-5-7-17)19(2)16(20)10-13-12-22-9-8-18-13/h13-15,18H,3-12H2,1-2H3
InChIKeyYETNHIPJPSQEOJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939918
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
2-(1,3-dioxan-2-yl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740198
2-(1,3-dioxan-2-yl)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740197
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
2-(cyclopropylmethylamino)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylacetamide
CID 119800300
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940408
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide (CID 119939729) is N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide is CCOC1CC(N(C)C(=O)CC2CSCCN2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is YETNHIPJPSQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-3-21-15-11-14(17(15)6-4-5-7-17)19(2)16(20)10-13-12-22-9-8-18-13/h13-15,18H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 326.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).