N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

C12H18N2O2S — CID 66422882

IUPACN-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccoc1)C(=O)CC1CSCCN1
InChIInChI=1S/C12H18N2O2S/c1-14(7-10-2-4-16-8-10)12(15)6-11-9-17-5-3-13-11/h2,4,8,11,13H,3,5-7,9H2,1H3
InChIKeyNUUWQYCQSKWJRF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.33
Rot. Bonds4

About N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide

N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422882) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422882
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccoc1)C(=O)CC1CSCCN1
InChIInChI=1S/C12H18N2O2S/c1-14(7-10-2-4-16-8-10)12(15)6-11-9-17-5-3-13-11/h2,4,8,11,13H,3,5-7,9H2,1H3
InChIKeyNUUWQYCQSKWJRF-UHFFFAOYSA-N
XLogP1.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
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-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66422882) is N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1ccoc1)C(=O)CC1CSCCN1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is NUUWQYCQSKWJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(7-10-2-4-16-8-10)12(15)6-11-9-17-5-3-13-11/h2,4,8,11,13H,3,5-7,9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide?
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).