N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C12H17ClN2OS2 — CID 66422444

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CC1CSCCN1
InChIInChI=1S/C12H17ClN2OS2/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3
InChIKeyYHIKRONGGJGTFA-UHFFFAOYSA-N
MW304.87 g/mol
LogP2.45
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422444) has the molecular formula C12H17ClN2OS2 and a molecular weight of 304.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422444
Molecular FormulaC12H17ClN2OS2
Molecular Weight304.87 g/mol
Exact Mass304.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CC1CSCCN1
InChIInChI=1S/C12H17ClN2OS2/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3
InChIKeyYHIKRONGGJGTFA-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635709
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66422444) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is YHIKRONGGJGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS2/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 304.87 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).