2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one

C9H16FNOS — CID 130165143

IUPAC2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)F)CCS1
InChIInChI=1S/C9H16FNOS/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyNTKUHDUBHTXUNQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.70
Rot. Bonds1

About 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one

2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one (PubChem CID 130165143) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one
PubChem CID130165143
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)F)CCS1
InChIInChI=1S/C9H16FNOS/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyNTKUHDUBHTXUNQ-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 51079912
N-(n-butyryl)thiomorpholine
CID 784954
2,2-Difluoro-1-thiomorpholin-4-ylbutan-1-one
CID 68248729
2,2-Difluoro-1-thiomorpholin-4-ylpropan-1-one
CID 89027809
3-Fluoro-2-methyl-1-thiomorpholin-4-ylpropan-1-one
CID 132137652
2,2,4-Trimethylthiomorpholine-3,5-dione
CID 257154
1-[4-(2-Tert-butylsulfanylacetyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 60603202
1-(2,6-Dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
CID 64592651
2-tert-butylsulfanyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78858785
N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78868727
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 86835616

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one (CID 130165143) is 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)(C)F)CCS1.
What is the InChIKey of 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one?
The InChIKey is NTKUHDUBHTXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one?
2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(2-methylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 130165143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).