2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole

C11H16N2O2S2 — CID 167854338

IUPAC2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(C2CCC2)s1)C1CCC1
InChIInChI=1S/C11H16N2O2S2/c14-17(15,9-5-2-6-9)7-10-12-13-11(16-10)8-3-1-4-8/h8-9H,1-7H2
InChIKeyIWQSPAIWXQLVRR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole

2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole (PubChem CID 167854338) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole
PubChem CID167854338
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(C2CCC2)s1)C1CCC1
InChIInChI=1S/C11H16N2O2S2/c14-17(15,9-5-2-6-9)7-10-12-13-11(16-10)8-3-1-4-8/h8-9H,1-7H2
InChIKeyIWQSPAIWXQLVRR-UHFFFAOYSA-N
XLogP2.27
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole (CID 167854338) is 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole is O=S(=O)(Cc1nnc(C2CCC2)s1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole?
The InChIKey is IWQSPAIWXQLVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c14-17(15,9-5-2-6-9)7-10-12-13-11(16-10)8-3-1-4-8/h8-9H,1-7H2.
What are the key properties of 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole?
2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole has a molecular weight of 272.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 167854338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).