2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide

C15H27N5OS — CID 27045923

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27N5OS/c1-15(2,3)20-14(17-18-19-20)22-11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyXYSBMPGHEBZKBR-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.75
Rot. Bonds4

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide (PubChem CID 27045923) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
PubChem CID27045923
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27N5OS/c1-15(2,3)20-14(17-18-19-20)22-11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyXYSBMPGHEBZKBR-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40721416
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 55206580
N-cycloheptyl-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716880
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139236

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide (CID 27045923) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide is CC(C)(C)n1nnnc1SCC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide?
The InChIKey is XYSBMPGHEBZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-15(2,3)20-14(17-18-19-20)22-11-13(21)16-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,21).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide has a molecular weight of 325.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide is sourced from PubChem (CID 27045923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).