2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine

C10H19F3N2O3S — CID 162424310

IUPAC2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NC[C@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-9(2,3)14-6-8-7-15(4-5-18-8)19(16,17)10(11,12)13/h8,14H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyKBDKJXWLTMVECT-QMMMGPOBSA-N
MW304.33 g/mol
LogP0.92
Rot. Bonds3

About 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine

2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 162424310) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID162424310
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NC[C@H]1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-9(2,3)14-6-8-7-15(4-5-18-8)19(16,17)10(11,12)13/h8,14H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyKBDKJXWLTMVECT-QMMMGPOBSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (CID 162424310) is 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is CC(C)(C)NC[C@H]1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is KBDKJXWLTMVECT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-9(2,3)14-6-8-7-15(4-5-18-8)19(16,17)10(11,12)13/h8,14H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 304.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 162424310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).