N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide

C13H16F2N2O3S2 — CID 119938584

IUPACN-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C13H16F2N2O3S2/c14-13(15)22(19,20)11-3-1-2-9(6-11)17-12(18)7-10-8-21-5-4-16-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18)
InChIKeyZQYUWTDWHMUAPD-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938584) has the molecular formula C13H16F2N2O3S2 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938584
Molecular FormulaC13H16F2N2O3S2
Molecular Weight350.41 g/mol
Exact Mass350.06
IUPAC NameN-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C13H16F2N2O3S2/c14-13(15)22(19,20)11-3-1-2-9(6-11)17-12(18)7-10-8-21-5-4-16-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18)
InChIKeyZQYUWTDWHMUAPD-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938584) is N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cccc(S(=O)(=O)C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZQYUWTDWHMUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S2/c14-13(15)22(19,20)11-3-1-2-9(6-11)17-12(18)7-10-8-21-5-4-16-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18).
What are the key properties of N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 350.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).