1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol

C14H19NO3S — CID 77104171

IUPAC1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-12(2)14(16)10-15(11-14)19(17,18)9-8-13-6-4-3-5-7-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyHVJZPEFMKIDOOE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol

1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol (PubChem CID 77104171) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
PubChem CID77104171
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-12(2)14(16)10-15(11-14)19(17,18)9-8-13-6-4-3-5-7-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyHVJZPEFMKIDOOE-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
CID 77104015
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide
CID 9493426
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8748979
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
2-methyl-1-[8-(2-phenylethenylsulfonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
CID 3992964
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
2-[1-(2-phenylethenylsulfonyl)azetidin-3-yl]acetic acid
CID 77049989

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol (CID 77104171) is 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol is CC(C)C1(O)CN(S(=O)(=O)C=Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol?
The InChIKey is HVJZPEFMKIDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-12(2)14(16)10-15(11-14)19(17,18)9-8-13-6-4-3-5-7-13/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol?
1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol has a molecular weight of 281.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 77104171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).