N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine

C10H19F3N2O2S2 — CID 66375997

IUPACN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)C1CSCCN1CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-6-5-15(9)4-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyJWMDXDYEDLHJSQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.95
Rot. Bonds6

About N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 66375997) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID66375997
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC NameN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)C1CSCCN1CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-6-5-15(9)4-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyJWMDXDYEDLHJSQ-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine (CID 66375997) is N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine is CCS(=O)(=O)C1CSCCN1CCNCC(F)(F)F.
What is the InChIKey of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is JWMDXDYEDLHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-6-5-15(9)4-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 320.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66375997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).