2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine

C9H16F3N5S — CID 114188225

IUPAC2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCSC(F)(F)F
InChIInChI=1S/C9H16F3N5S/c1-7(2)5-13-6-8-14-15-16-17(8)3-4-18-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyASJPFXZINJMEGE-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.67
Rot. Bonds7

About 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 114188225) has the molecular formula C9H16F3N5S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
PubChem CID114188225
Molecular FormulaC9H16F3N5S
Molecular Weight283.32 g/mol
Exact Mass283.11
IUPAC Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCSC(F)(F)F
InChIInChI=1S/C9H16F3N5S/c1-7(2)5-13-6-8-14-15-16-17(8)3-4-18-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyASJPFXZINJMEGE-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine (CID 114188225) is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1CCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is ASJPFXZINJMEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5S/c1-7(2)5-13-6-8-14-15-16-17(8)3-4-18-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 283.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114188225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).