[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

C10H19F3N2O3S — CID 83060013

IUPAC[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-8-7-18-9(5-14)6-15(8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyJXEBFURHQHQYOF-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.71
Rot. Bonds5

About [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 83060013) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
PubChem CID83060013
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-8-7-18-9(5-14)6-15(8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyJXEBFURHQHQYOF-UHFFFAOYSA-N
XLogP0.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (CID 83060013) is [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is JXEBFURHQHQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-8-7-18-9(5-14)6-15(8)19(16,17)4-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 304.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 83060013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).