N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide

C16H23FN2OS — CID 119939575

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(CNC(=O)CC1CSCCN1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2OS/c1-16(2,12-4-3-5-13(17)8-12)11-19-15(20)9-14-10-21-7-6-18-14/h3-5,8,14,18H,6-7,9-11H2,1-2H3,(H,19,20)
InChIKeyYOQQHSDOJVGSSU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939575) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939575
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(CNC(=O)CC1CSCCN1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2OS/c1-16(2,12-4-3-5-13(17)8-12)11-19-15(20)9-14-10-21-7-6-18-14/h3-5,8,14,18H,6-7,9-11H2,1-2H3,(H,19,20)
InChIKeyYOQQHSDOJVGSSU-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119938182
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938870
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938117
3-fluoro-N-[3-[(2-thiomorpholin-3-ylacetyl)amino]propyl]benzamide
CID 119939089
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939693
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
CID 119940303
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide (CID 119939575) is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide is CC(C)(CNC(=O)CC1CSCCN1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is YOQQHSDOJVGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-16(2,12-4-3-5-13(17)8-12)11-19-15(20)9-14-10-21-7-6-18-14/h3-5,8,14,18H,6-7,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 310.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).