1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole

C11H17N3O2S — CID 167190062

IUPAC1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole
SMILESO=S(=O)(CC1CCCC1)n1cnc(C2CC2)n1
InChIInChI=1S/C11H17N3O2S/c15-17(16,7-9-3-1-2-4-9)14-8-12-11(13-14)10-5-6-10/h8-10H,1-7H2
InChIKeyWRJOUQSKUAWOEY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.52
Rot. Bonds4

About 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole

1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole (PubChem CID 167190062) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole
PubChem CID167190062
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole
SMILESO=S(=O)(CC1CCCC1)n1cnc(C2CC2)n1
InChIInChI=1S/C11H17N3O2S/c15-17(16,7-9-3-1-2-4-9)14-8-12-11(13-14)10-5-6-10/h8-10H,1-7H2
InChIKeyWRJOUQSKUAWOEY-UHFFFAOYSA-N
XLogP1.52
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole (CID 167190062) is 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole is O=S(=O)(CC1CCCC1)n1cnc(C2CC2)n1.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole?
The InChIKey is WRJOUQSKUAWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-17(16,7-9-3-1-2-4-9)14-8-12-11(13-14)10-5-6-10/h8-10H,1-7H2.
What are the key properties of 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole?
1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole has a molecular weight of 255.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)-3-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 167190062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).