N-(3-fluorobutyl)thiomorpholine-4-carboxamide

C9H17FN2OS — CID 126767656

IUPACN-(3-fluorobutyl)thiomorpholine-4-carboxamide
SMILESCC(F)CCNC(=O)N1CCSCC1
InChIInChI=1S/C9H17FN2OS/c1-8(10)2-3-11-9(13)12-4-6-14-7-5-12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyIOAJFKWSOKIZPZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.49
Rot. Bonds3

About N-(3-fluorobutyl)thiomorpholine-4-carboxamide

N-(3-fluorobutyl)thiomorpholine-4-carboxamide (PubChem CID 126767656) has the molecular formula C9H17FN2OS and a molecular weight of 220.31 g/mol. Its IUPAC name is N-(3-fluorobutyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)thiomorpholine-4-carboxamide
PubChem CID126767656
Molecular FormulaC9H17FN2OS
Molecular Weight220.31 g/mol
Exact Mass220.10
IUPAC NameN-(3-fluorobutyl)thiomorpholine-4-carboxamide
SMILESCC(F)CCNC(=O)N1CCSCC1
InChIInChI=1S/C9H17FN2OS/c1-8(10)2-3-11-9(13)12-4-6-14-7-5-12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyIOAJFKWSOKIZPZ-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.49
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
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 72116653
N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide
CID 138607830
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
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 91641744
(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
(2R)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99813035

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(3-fluorobutyl)thiomorpholine-4-carboxamide (CID 126767656) is N-(3-fluorobutyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(3-fluorobutyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(3-fluorobutyl)thiomorpholine-4-carboxamide is CC(F)CCNC(=O)N1CCSCC1.
What is the InChIKey of N-(3-fluorobutyl)thiomorpholine-4-carboxamide?
The InChIKey is IOAJFKWSOKIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2OS/c1-8(10)2-3-11-9(13)12-4-6-14-7-5-12/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(3-fluorobutyl)thiomorpholine-4-carboxamide?
N-(3-fluorobutyl)thiomorpholine-4-carboxamide has a molecular weight of 220.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 126767656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).