3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole

C18H24N4O2S — CID 155882090

IUPAC3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole
SMILESO=S(=O)(c1ccccc1)N1CCCC1CCc1nncn1CC1CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,17-6-2-1-3-7-17)22-12-4-5-16(22)10-11-18-20-19-14-21(18)13-15-8-9-15/h1-3,6-7,14-16H,4-5,8-13H2
InChIKeyZAMCJFZQOGBMKP-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.47
Rot. Bonds7

About 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole

3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole (PubChem CID 155882090) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole
PubChem CID155882090
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole
SMILESO=S(=O)(c1ccccc1)N1CCCC1CCc1nncn1CC1CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,17-6-2-1-3-7-17)22-12-4-5-16(22)10-11-18-20-19-14-21(18)13-15-8-9-15/h1-3,6-7,14-16H,4-5,8-13H2
InChIKeyZAMCJFZQOGBMKP-UHFFFAOYSA-N
XLogP2.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882088
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
3-[2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methyl-1,2,4-triazole
CID 155882025
1-[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 155881635
4-cyclopropyl-3-[2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882083
2-(benzenesulfonylmethyl)-1-(4-tert-butylphenyl)sulfonylpyrrolidine
CID 90585750
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole?
The IUPAC name of 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole (CID 155882090) is 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole?
The canonical SMILES for 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole is O=S(=O)(c1ccccc1)N1CCCC1CCc1nncn1CC1CC1.
What is the InChIKey of 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole?
The InChIKey is ZAMCJFZQOGBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-25(24,17-6-2-1-3-7-17)22-12-4-5-16(22)10-11-18-20-19-14-21(18)13-15-8-9-15/h1-3,6-7,14-16H,4-5,8-13H2.
What are the key properties of 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole?
3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole has a molecular weight of 360.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole is sourced from PubChem (CID 155882090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).