1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol

C8H10BrNO4S2 — CID 106672713

IUPAC1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1sccc1Br)N1CC(O)C(O)C1
InChIInChI=1S/C8H10BrNO4S2/c9-5-1-2-15-8(5)16(13,14)10-3-6(11)7(12)4-10/h1-2,6-7,11-12H,3-4H2
InChIKeyXZMKYPQPBZZKGW-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.24
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol

1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106672713) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
PubChem CID106672713
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Name1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1sccc1Br)N1CC(O)C(O)C1
InChIInChI=1S/C8H10BrNO4S2/c9-5-1-2-15-8(5)16(13,14)10-3-6(11)7(12)4-10/h1-2,6-7,11-12H,3-4H2
InChIKeyXZMKYPQPBZZKGW-UHFFFAOYSA-N
XLogP0.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
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(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
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(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol (CID 106672713) is 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1sccc1Br)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is XZMKYPQPBZZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c9-5-1-2-15-8(5)16(13,14)10-3-6(11)7(12)4-10/h1-2,6-7,11-12H,3-4H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol?
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 328.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).