1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol

C14H19NO3S — CID 77104015

IUPAC1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-2-9-14(16)11-15(12-14)19(17,18)10-8-13-6-4-3-5-7-13/h3-8,10,16H,2,9,11-12H2,1H3
InChIKeySZARDNBLACJEAC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.83
Rot. Bonds5

About 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol

1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol (PubChem CID 77104015) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
PubChem CID77104015
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-2-9-14(16)11-15(12-14)19(17,18)10-8-13-6-4-3-5-7-13/h3-8,10,16H,2,9,11-12H2,1H3
InChIKeySZARDNBLACJEAC-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 77104171
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
2-[1-(2-phenylethenylsulfonyl)azetidin-3-yl]acetic acid
CID 77049989
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215788
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol (CID 77104015) is 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol is CCCC1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol?
The InChIKey is SZARDNBLACJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-9-14(16)11-15(12-14)19(17,18)10-8-13-6-4-3-5-7-13/h3-8,10,16H,2,9,11-12H2,1H3.
What are the key properties of 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol?
1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol has a molecular weight of 281.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol is sourced from PubChem (CID 77104015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).