5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole

C12H14N4O2S2 — CID 26389020

IUPAC5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole
SMILESO=S(=O)(CCSc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C12H14N4O2S2/c17-20(18,11-4-2-1-3-5-11)9-8-19-12-13-14-15-16(12)10-6-7-10/h1-5,10H,6-9H2
InChIKeyFGYTZLMLVGQWJF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.57
Rot. Bonds6

About 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole

5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole (PubChem CID 26389020) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole
PubChem CID26389020
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole
SMILESO=S(=O)(CCSc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C12H14N4O2S2/c17-20(18,11-4-2-1-3-5-11)9-8-19-12-13-14-15-16(12)10-6-7-10/h1-5,10H,6-9H2
InChIKeyFGYTZLMLVGQWJF-UHFFFAOYSA-N
XLogP1.57
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole 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

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 115659166
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylpropanoic acid
CID 63098410
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1,3-benzoxazol-2-one
CID 46573150
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35363829
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 38841877
4-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethoxy]benzoic acid
CID 43532421
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylphenyl)ethanone
CID 43802399
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenylpropanoic acid
CID 63098233

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The IUPAC name of 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole (CID 26389020) is 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole is O=S(=O)(CCSc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The InChIKey is FGYTZLMLVGQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c17-20(18,11-4-2-1-3-5-11)9-8-19-12-13-14-15-16(12)10-6-7-10/h1-5,10H,6-9H2.
What are the key properties of 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole?
5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole has a molecular weight of 310.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole is sourced from PubChem (CID 26389020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).