N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

C16H20N2OS2 — CID 119936231

IUPACN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1csc2ccccc12)C(=O)CC1CSCCN1
InChIInChI=1S/C16H20N2OS2/c1-18(16(19)8-13-11-20-7-6-17-13)9-12-10-21-15-5-3-2-4-14(12)15/h2-5,10,13,17H,6-9,11H2,1H3
InChIKeyYKOWWOAEEJFXPE-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.95
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119936231) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID119936231
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1csc2ccccc12)C(=O)CC1CSCCN1
InChIInChI=1S/C16H20N2OS2/c1-18(16(19)8-13-11-20-7-6-17-13)9-12-10-21-15-5-3-2-4-14(12)15/h2-5,10,13,17H,6-9,11H2,1H3
InChIKeyYKOWWOAEEJFXPE-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940858
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (CID 119936231) is N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1csc2ccccc12)C(=O)CC1CSCCN1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is YKOWWOAEEJFXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-18(16(19)8-13-11-20-7-6-17-13)9-12-10-21-15-5-3-2-4-14(12)15/h2-5,10,13,17H,6-9,11H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 320.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).