N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide

C8H15FN2OS — CID 130661034

IUPACN-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCF)CCS1
InChIInChI=1S/C8H15FN2OS/c1-7-6-11(4-5-13-7)8(12)10-3-2-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyWGGFMJAAFHSOCJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds2

About N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide

N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide (PubChem CID 130661034) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide
PubChem CID130661034
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC NameN-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCF)CCS1
InChIInChI=1S/C8H15FN2OS/c1-7-6-11(4-5-13-7)8(12)10-3-2-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyWGGFMJAAFHSOCJ-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859652
2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
CID 75377524
N-Methylthiomorpholine-4-carboxamide
CID 12517902
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 72116653
2,6-Dimethylthiomorpholine-4-carboxamide
CID 251646
2,2-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 71974909
2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide
CID 75377523
(2R,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 96109402
(2S,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 96109403
(2R,6R)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 96109404
1-[2-(Trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one
CID 106433191

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide (CID 130661034) is N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide is CC1CN(C(=O)NCCF)CCS1.
What is the InChIKey of N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide?
The InChIKey is WGGFMJAAFHSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2OS/c1-7-6-11(4-5-13-7)8(12)10-3-2-9/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide?
N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 130661034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).