1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine

C10H19F3N2O2S2 — CID 66384296

IUPAC1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCSCC1S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-3-7(14)9(10(11,12)13)15-4-5-18-6-8(15)19(2,16)17/h7-9H,3-6,14H2,1-2H3
InChIKeyCRFQQZFQWDGLDQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.07
Rot. Bonds4

About 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine

1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine (PubChem CID 66384296) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine
PubChem CID66384296
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC Name1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCSCC1S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c1-3-7(14)9(10(11,12)13)15-4-5-18-6-8(15)19(2,16)17/h7-9H,3-6,14H2,1-2H3
InChIKeyCRFQQZFQWDGLDQ-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine (CID 66384296) is 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine is CCC(N)C(N1CCSCC1S(C)(=O)=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine?
The InChIKey is CRFQQZFQWDGLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c1-3-7(14)9(10(11,12)13)15-4-5-18-6-8(15)19(2,16)17/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine?
1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine has a molecular weight of 320.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-3-amine is sourced from PubChem (CID 66384296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).