(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C7H10F3N5OS — CID 25381637

IUPAC(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H10F3N5OS/c1-4(5(16)11-3-7(8,9)10)17-6-12-13-14-15(6)2/h4H,3H2,1-2H3,(H,11,16)/t4-/m0/s1
InChIKeyARSYOZWMYKUNKC-BYPYZUCNSA-N
MW269.25 g/mol
LogP0.37
Rot. Bonds4

About (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 25381637) has the molecular formula C7H10F3N5OS and a molecular weight of 269.25 g/mol. Its IUPAC name is (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID25381637
Molecular FormulaC7H10F3N5OS
Molecular Weight269.25 g/mol
Exact Mass269.06
IUPAC Name(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H10F3N5OS/c1-4(5(16)11-3-7(8,9)10)17-6-12-13-14-15(6)2/h4H,3H2,1-2H3,(H,11,16)/t4-/m0/s1
InChIKeyARSYOZWMYKUNKC-BYPYZUCNSA-N
XLogP0.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 25381637) is (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](Sc1nnnn1C)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ARSYOZWMYKUNKC-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10F3N5OS/c1-4(5(16)11-3-7(8,9)10)17-6-12-13-14-15(6)2/h4H,3H2,1-2H3,(H,11,16)/t4-/m0/s1.
What are the key properties of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 269.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 25381637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).