tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate

C11H20N4O2S — CID 47124210

IUPACtert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate
SMILESCC(C)(C)OC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C11H20N4O2S/c1-10(2,3)15-9(12-13-14-15)18-7-8(16)17-11(4,5)6/h7H2,1-6H3
InChIKeyGMUXJRZJGORPIX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate

tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate (PubChem CID 47124210) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Nametert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate
PubChem CID47124210
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Nametert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate
SMILESCC(C)(C)OC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C11H20N4O2S/c1-10(2,3)15-9(12-13-14-15)18-7-8(16)17-11(4,5)6/h7H2,1-6H3
InChIKeyGMUXJRZJGORPIX-UHFFFAOYSA-N
XLogP1.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate 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

tert-butyl 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17344941
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40721416
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 18285557
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 27045972
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
5-(3-bromopropylsulfanyl)-1-tert-butyltetrazole
CID 11492849
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 51258408
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 27045873
methyl 4-[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9381557

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate (CID 47124210) is tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate is CC(C)(C)OC(=O)CSc1nnnn1C(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate?
The InChIKey is GMUXJRZJGORPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10(2,3)15-9(12-13-14-15)18-7-8(16)17-11(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate?
tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate has a molecular weight of 272.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 47124210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).