5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole

C14H23N3O3S — CID 126770799

IUPAC5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole
SMILESO=S(=O)(CC1CCCO1)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C14H23N3O3S/c18-21(19,10-12-6-3-9-20-12)14-15-13(16-17-14)8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,16,17)
InChIKeySPAKNKPHNBWUQY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.88
Rot. Bonds6

About 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole

5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole (PubChem CID 126770799) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole
PubChem CID126770799
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole
SMILESO=S(=O)(CC1CCCO1)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C14H23N3O3S/c18-21(19,10-12-6-3-9-20-12)14-15-13(16-17-14)8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,16,17)
InChIKeySPAKNKPHNBWUQY-UHFFFAOYSA-N
XLogP1.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-[[(2R)-oxan-2-yl]methylsulfonyl]-1H-1,2,4-triazole
CID 96996272
5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole
CID 126791349
5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 65155851
N-methyl-1-[1-[5-[2-(oxolan-2-yl)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800111
5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
(3S)-1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797846
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
(2R)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 39022868
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106513646
5-[2-(oxolan-2-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 65155553
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole (CID 126770799) is 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole is O=S(=O)(CC1CCCO1)c1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole?
The InChIKey is SPAKNKPHNBWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-21(19,10-12-6-3-9-20-12)14-15-13(16-17-14)8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,16,17).
What are the key properties of 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole?
5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole has a molecular weight of 313.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole is sourced from PubChem (CID 126770799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).