N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide

C8H12F4N2OS — CID 106291830

IUPACN-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)C1CSCCN1
InChIInChI=1S/C8H12F4N2OS/c9-7(10)8(11,12)4-14-6(15)5-3-16-2-1-13-5/h5,7,13H,1-4H2,(H,14,15)
InChIKeyPKWIZAXKWLPQBF-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.71
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide

N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide (PubChem CID 106291830) has the molecular formula C8H12F4N2OS and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
PubChem CID106291830
Molecular FormulaC8H12F4N2OS
Molecular Weight260.26 g/mol
Exact Mass260.06
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)C1CSCCN1
InChIInChI=1S/C8H12F4N2OS/c9-7(10)8(11,12)4-14-6(15)5-3-16-2-1-13-5/h5,7,13H,1-4H2,(H,14,15)
InChIKeyPKWIZAXKWLPQBF-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
thiomorpholine-3-carbohydrazide
CID 14045872
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
CID 106135048
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 106294061
N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106293083

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide (CID 106291830) is N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide is O=C(NCC(F)(F)C(F)F)C1CSCCN1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide?
The InChIKey is PKWIZAXKWLPQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2OS/c9-7(10)8(11,12)4-14-6(15)5-3-16-2-1-13-5/h5,7,13H,1-4H2,(H,14,15).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 106291830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).