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

C10H19F3N2O2S2 — CID 103366392

IUPAC2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyPNOCMPOTIJNILB-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.93
Rot. Bonds5

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

2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366392) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366392
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyPNOCMPOTIJNILB-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.93
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)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366392) is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCS(=O)(=O)C1CSCCN1CC(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is PNOCMPOTIJNILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c1-2-19(16,17)9-7-18-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 320.40 g/mol, XLogP of 0.93, 5 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)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).