N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

C12H22N2OS — CID 66422211

IUPACN-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCC(C1CC1)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H22N2OS/c1-9(10-3-4-10)14(2)12(15)7-11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyXHNGLCMGXHQLPE-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422211) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422211
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCC(C1CC1)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H22N2OS/c1-9(10-3-4-10)14(2)12(15)7-11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyXHNGLCMGXHQLPE-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
1-cyclopropyl-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916645
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66422211) is N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is CC(C1CC1)N(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is XHNGLCMGXHQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(10-3-4-10)14(2)12(15)7-11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).