N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide

C14H22N2OS2 — CID 79494564

IUPACN-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C14H22N2OS2/c1-11(8-13-4-3-6-19-13)16(2)14(17)9-12-10-18-7-5-15-12/h3-4,6,11-12,15H,5,7-10H2,1-2H3
InChIKeyYQTVKVXWTIWABH-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide

N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 79494564) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID79494564
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C14H22N2OS2/c1-11(8-13-4-3-6-19-13)16(2)14(17)9-12-10-18-7-5-15-12/h3-4,6,11-12,15H,5,7-10H2,1-2H3
InChIKeyYQTVKVXWTIWABH-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 79494564) is N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is CC(Cc1cccs1)N(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is YQTVKVXWTIWABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-11(8-13-4-3-6-19-13)16(2)14(17)9-12-10-18-7-5-15-12/h3-4,6,11-12,15H,5,7-10H2,1-2H3.
What are the key properties of N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 298.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 79494564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).