2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H15F3N6O2S — CID 27094944

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N6O2S/c12-11(13,14)6-15-9(22)16-8(21)5-23-10-17-18-19-20(10)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,21,22)
InChIKeyABGKIIXDZZBVMI-UHFFFAOYSA-N
MW352.34 g/mol
LogP1.27
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 27094944) has the molecular formula C11H15F3N6O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID27094944
Molecular FormulaC11H15F3N6O2S
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N6O2S/c12-11(13,14)6-15-9(22)16-8(21)5-23-10-17-18-19-20(10)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,21,22)
InChIKeyABGKIIXDZZBVMI-UHFFFAOYSA-N
XLogP1.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 27094944) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CSc1nnnn1C1CCCC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is ABGKIIXDZZBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6O2S/c12-11(13,14)6-15-9(22)16-8(21)5-23-10-17-18-19-20(10)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,21,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 352.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 27094944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).