1-cyclopropyl-5-methylsulfonyltetrazole

C5H8N4O2S — CID 43163673

IUPAC1-cyclopropyl-5-methylsulfonyltetrazole
SMILESCS(=O)(=O)c1nnnn1C1CC1
InChIInChI=1S/C5H8N4O2S/c1-12(10,11)5-6-7-8-9(5)4-2-3-4/h4H,2-3H2,1H3
InChIKeyRVPOYAYBQNVHNI-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.59
Rot. Bonds2

About 1-cyclopropyl-5-methylsulfonyltetrazole

1-cyclopropyl-5-methylsulfonyltetrazole (PubChem CID 43163673) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 1-cyclopropyl-5-methylsulfonyltetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methylsulfonyltetrazole
PubChem CID43163673
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name1-cyclopropyl-5-methylsulfonyltetrazole
SMILESCS(=O)(=O)c1nnnn1C1CC1
InChIInChI=1S/C5H8N4O2S/c1-12(10,11)5-6-7-8-9(5)4-2-3-4/h4H,2-3H2,1H3
InChIKeyRVPOYAYBQNVHNI-UHFFFAOYSA-N
XLogP-0.59
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methylsulfonyltetrazole?
The IUPAC name of 1-cyclopropyl-5-methylsulfonyltetrazole (CID 43163673) is 1-cyclopropyl-5-methylsulfonyltetrazole.
What is the SMILES notation for 1-cyclopropyl-5-methylsulfonyltetrazole?
The canonical SMILES for 1-cyclopropyl-5-methylsulfonyltetrazole is CS(=O)(=O)c1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methylsulfonyltetrazole?
The InChIKey is RVPOYAYBQNVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-12(10,11)5-6-7-8-9(5)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5-methylsulfonyltetrazole?
1-cyclopropyl-5-methylsulfonyltetrazole has a molecular weight of 188.21 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methylsulfonyltetrazole is sourced from PubChem (CID 43163673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).