(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol

C8H10BrNO3S2 — CID 66291405

IUPAC(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1sccc1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C8H10BrNO3S2/c9-7-2-4-14-8(7)15(12,13)10-3-1-6(11)5-10/h2,4,6,11H,1,3,5H2/t6-/m1/s1
InChIKeyJENAWVGOKOYGKP-ZCFIWIBFSA-N
MW312.21 g/mol
LogP1.27
Rot. Bonds2

About (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol

(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol (PubChem CID 66291405) has the molecular formula C8H10BrNO3S2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
PubChem CID66291405
Molecular FormulaC8H10BrNO3S2
Molecular Weight312.21 g/mol
Exact Mass310.93
IUPAC Name(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1sccc1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C8H10BrNO3S2/c9-7-2-4-14-8(7)15(12,13)10-3-1-6(11)5-10/h2,4,6,11H,1,3,5H2/t6-/m1/s1
InChIKeyJENAWVGOKOYGKP-ZCFIWIBFSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
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CID 103896811
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 113228721

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol (CID 66291405) is (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1sccc1Br)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is JENAWVGOKOYGKP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10BrNO3S2/c9-7-2-4-14-8(7)15(12,13)10-3-1-6(11)5-10/h2,4,6,11H,1,3,5H2/t6-/m1/s1.
What are the key properties of (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol?
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 312.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).