2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N5OS — CID 51258562

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)7-15-9(20)6-21-10-16-17-18-19(10)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,20)
InChIKeyACFCGUPLDYMPOU-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.95
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51258562) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51258562
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)7-15-9(20)6-21-10-16-17-18-19(10)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,20)
InChIKeyACFCGUPLDYMPOU-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 51258562) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nnnn1C1CCCCC1)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ACFCGUPLDYMPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c12-11(13,14)7-15-9(20)6-21-10-16-17-18-19(10)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,20).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 323.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51258562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).