1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole

C19H36N8O2S2 — CID 18752704

IUPAC1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole
SMILESCC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)Cn1cnnn1)Cn1cnnn1
InChIInChI=1S/C19H36N8O2S2/c1-18(2,14-26-16-20-22-24-26)8-5-10-30(28)12-7-13-31(29)11-6-9-19(3,4)15-27-17-21-23-25-27/h16-17H,5-15H2,1-4H3
InChIKeyYHDFLBAQTMGJDU-UHFFFAOYSA-N
MW472.69 g/mol
LogP1.86
Rot. Bonds16

About 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole

1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole (PubChem CID 18752704) has the molecular formula C19H36N8O2S2 and a molecular weight of 472.69 g/mol. Its IUPAC name is 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole.

Molecular Properties

Compound Name1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole
PubChem CID18752704
Molecular FormulaC19H36N8O2S2
Molecular Weight472.69 g/mol
Exact Mass472.24
IUPAC Name1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole
SMILESCC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)Cn1cnnn1)Cn1cnnn1
InChIInChI=1S/C19H36N8O2S2/c1-18(2,14-26-16-20-22-24-26)8-5-10-30(28)12-7-13-31(29)11-6-9-19(3,4)15-27-17-21-23-25-27/h16-17H,5-15H2,1-4H3
InChIKeyYHDFLBAQTMGJDU-UHFFFAOYSA-N
XLogP1.86
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.69
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole 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 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole?
The IUPAC name of 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole (CID 18752704) is 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole.
What is the SMILES notation for 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole?
The canonical SMILES for 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole is CC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)Cn1cnnn1)Cn1cnnn1.
What is the InChIKey of 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole?
The InChIKey is YHDFLBAQTMGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N8O2S2/c1-18(2,14-26-16-20-22-24-26)8-5-10-30(28)12-7-13-31(29)11-6-9-19(3,4)15-27-17-21-23-25-27/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole?
1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole has a molecular weight of 472.69 g/mol, XLogP of 1.86, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4,4-dimethyl-5-(tetrazol-1-yl)pentyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]tetrazole is sourced from PubChem (CID 18752704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).