1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol

C7H8BrNO3S2 — CID 63104958

IUPAC1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
SMILESO=S(=O)(c1sccc1Br)N1CC(O)C1
InChIInChI=1S/C7H8BrNO3S2/c8-6-1-2-13-7(6)14(11,12)9-3-5(10)4-9/h1-2,5,10H,3-4H2
InChIKeyPPMFLGUOEDRAGQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP0.88
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol

1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol (PubChem CID 63104958) has the molecular formula C7H8BrNO3S2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
PubChem CID63104958
Molecular FormulaC7H8BrNO3S2
Molecular Weight298.18 g/mol
Exact Mass296.91
IUPAC Name1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
SMILESO=S(=O)(c1sccc1Br)N1CC(O)C1
InChIInChI=1S/C7H8BrNO3S2/c8-6-1-2-13-7(6)14(11,12)9-3-5(10)4-9/h1-2,5,10H,3-4H2
InChIKeyPPMFLGUOEDRAGQ-UHFFFAOYSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 103931361
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
2-(3-bromothiophen-2-yl)sulfonyl-1,3-dihydroisoindole
CID 62231716
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol (CID 63104958) is 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol is O=S(=O)(c1sccc1Br)N1CC(O)C1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol?
The InChIKey is PPMFLGUOEDRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S2/c8-6-1-2-13-7(6)14(11,12)9-3-5(10)4-9/h1-2,5,10H,3-4H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol?
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol has a molecular weight of 298.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol is sourced from PubChem (CID 63104958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).