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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Related Compounds

(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709495
2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
CID 64709292
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64899830
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092267
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64619824
N-[[3-fluoro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805045
2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16525334
1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
CID 54427991

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).