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

C9H17F3N2O3S — CID 155354257

IUPACN-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O3S/c1-7(2)13-5-8-6-14(3-4-17-8)18(15,16)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyACUQTLVUWDDFBR-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.53
Rot. Bonds4

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

N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 155354257) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID155354257
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC NameN-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O3S/c1-7(2)13-5-8-6-14(3-4-17-8)18(15,16)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyACUQTLVUWDDFBR-UHFFFAOYSA-N
XLogP0.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine (CID 155354257) is N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is CC(C)NCC1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is ACUQTLVUWDDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-7(2)13-5-8-6-14(3-4-17-8)18(15,16)9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine?
N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 290.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethylsulfonyl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 155354257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).