2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine

C9H17F3N2O2S2 — CID 66383107

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S2/c1-2-18(15,16)8-6-17-4-3-14(8)7(5-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMMSPZDMTYOJSQG-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.69
Rot. Bonds4

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 66383107) has the molecular formula C9H17F3N2O2S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID66383107
Molecular FormulaC9H17F3N2O2S2
Molecular Weight306.38 g/mol
Exact Mass306.07
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S2/c1-2-18(15,16)8-6-17-4-3-14(8)7(5-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMMSPZDMTYOJSQG-UHFFFAOYSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine (CID 66383107) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine is CCS(=O)(=O)C1CSCCN1C(CN)C(F)(F)F.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MMSPZDMTYOJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S2/c1-2-18(15,16)8-6-17-4-3-14(8)7(5-13)9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 306.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 66383107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).