2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H12F3N5S — CID 62577490

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1nnnn1C
InChIInChI=1S/C7H12F3N5S/c1-5(3-11-4-7(8,9)10)16-6-12-13-14-15(6)2/h5,11H,3-4H2,1-2H3
InChIKeyJMKIJLBZYGKEOL-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.84
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62577490) has the molecular formula C7H12F3N5S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62577490
Molecular FormulaC7H12F3N5S
Molecular Weight255.27 g/mol
Exact Mass255.08
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1nnnn1C
InChIInChI=1S/C7H12F3N5S/c1-5(3-11-4-7(8,9)10)16-6-12-13-14-15(6)2/h5,11H,3-4H2,1-2H3
InChIKeyJMKIJLBZYGKEOL-UHFFFAOYSA-N
XLogP0.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62577490) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Sc1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JMKIJLBZYGKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5S/c1-5(3-11-4-7(8,9)10)16-6-12-13-14-15(6)2/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62577490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).