4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole

C16H22N4O2S — CID 56711397

IUPAC4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole
SMILESO=S(=O)(CCn1cc(CCc2ccccc2)nn1)N1CCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,20-10-4-5-11-20)13-12-19-14-16(17-18-19)9-8-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyLVVWFBFKUIEFGD-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.49
Rot. Bonds7

About 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole

4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole (PubChem CID 56711397) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole.

Molecular Properties

Compound Name4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole
PubChem CID56711397
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole
SMILESO=S(=O)(CCn1cc(CCc2ccccc2)nn1)N1CCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,20-10-4-5-11-20)13-12-19-14-16(17-18-19)9-8-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyLVVWFBFKUIEFGD-UHFFFAOYSA-N
XLogP1.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
N-[2-(4-phenyltriazol-1-yl)ethyl]azepane-1-sulfonamide
CID 136573990
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole?
The IUPAC name of 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole (CID 56711397) is 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole.
What is the SMILES notation for 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole?
The canonical SMILES for 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole is O=S(=O)(CCn1cc(CCc2ccccc2)nn1)N1CCCC1.
What is the InChIKey of 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole?
The InChIKey is LVVWFBFKUIEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-23(22,20-10-4-5-11-20)13-12-19-14-16(17-18-19)9-8-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole?
4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole has a molecular weight of 334.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1-(2-pyrrolidin-1-ylsulfonylethyl)triazole is sourced from PubChem (CID 56711397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).