N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C12H15ClF2N2OS — CID 119935785

IUPACN-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2OS.ClH/c13-8-3-9(14)5-10(4-8)16-12(17)6-11-7-18-2-1-15-11;/h3-5,11,15H,1-2,6-7H2,(H,16,17);1H
InChIKeyXWDNXRPLCBOWIC-UHFFFAOYSA-N
MW308.78 g/mol
LogP2.42
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935785) has the molecular formula C12H15ClF2N2OS and a molecular weight of 308.78 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935785
Molecular FormulaC12H15ClF2N2OS
Molecular Weight308.78 g/mol
Exact Mass308.06
IUPAC NameN-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2N2OS.ClH/c13-8-3-9(14)5-10(4-8)16-12(17)6-11-7-18-2-1-15-11;/h3-5,11,15H,1-2,6-7H2,(H,16,17);1H
InChIKeyXWDNXRPLCBOWIC-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935785) is N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is XWDNXRPLCBOWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS.ClH/c13-8-3-9(14)5-10(4-8)16-12(17)6-11-7-18-2-1-15-11;/h3-5,11,15H,1-2,6-7H2,(H,16,17);1H.
What are the key properties of N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 308.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).