2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide

C11H16N2OS2 — CID 66422898

IUPAC2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(CC1CSCCN1)NCc1ccsc1
InChIInChI=1S/C11H16N2OS2/c14-11(5-10-8-16-4-2-12-10)13-6-9-1-3-15-7-9/h1,3,7,10,12H,2,4-6,8H2,(H,13,14)
InChIKeyNMIWGLSRPVUBRP-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.46
Rot. Bonds4

About 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide

2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66422898) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66422898
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(CC1CSCCN1)NCc1ccsc1
InChIInChI=1S/C11H16N2OS2/c14-11(5-10-8-16-4-2-12-10)13-6-9-1-3-15-7-9/h1,3,7,10,12H,2,4-6,8H2,(H,13,14)
InChIKeyNMIWGLSRPVUBRP-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
2-methyl-N-[3-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]phenyl]butanamide
CID 119936534
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941144

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide (CID 66422898) is 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide is O=C(CC1CSCCN1)NCc1ccsc1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is NMIWGLSRPVUBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c14-11(5-10-8-16-4-2-12-10)13-6-9-1-3-15-7-9/h1,3,7,10,12H,2,4-6,8H2,(H,13,14).
What are the key properties of 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide?
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 256.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66422898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).