N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide

C12H24N2O2S — CID 66420866

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)C(C)COC
InChIInChI=1S/C12H24N2O2S/c1-4-14(10(2)8-16-3)12(15)7-11-9-17-6-5-13-11/h10-11,13H,4-9H2,1-3H3
InChIKeyFPRNDIKBJQPDTB-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.96
Rot. Bonds6

About N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide

N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420866) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420866
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)C(C)COC
InChIInChI=1S/C12H24N2O2S/c1-4-14(10(2)8-16-3)12(15)7-11-9-17-6-5-13-11/h10-11,13H,4-9H2,1-3H3
InChIKeyFPRNDIKBJQPDTB-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 66422301
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
2-(4-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781925
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274
N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide (CID 66420866) is N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide is CCN(C(=O)CC1CSCCN1)C(C)COC.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is FPRNDIKBJQPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-14(10(2)8-16-3)12(15)7-11-9-17-6-5-13-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide?
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 260.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).