[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol

C10H13BrN2O3S — CID 66260969

IUPAC[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cncc(Br)c1)N1CCC[C@H]1CO
InChIInChI=1S/C10H13BrN2O3S/c11-8-4-10(6-12-5-8)17(15,16)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2/t9-/m0/s1
InChIKeyJTQQKCLAAFHMSS-VIFPVBQESA-N
MW321.20 g/mol
LogP0.99
Rot. Bonds3

About [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 66260969) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID66260969
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cncc(Br)c1)N1CCC[C@H]1CO
InChIInChI=1S/C10H13BrN2O3S/c11-8-4-10(6-12-5-8)17(15,16)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2/t9-/m0/s1
InChIKeyJTQQKCLAAFHMSS-VIFPVBQESA-N
XLogP0.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
CID 63397000
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889438
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
1-[(5-bromo-3-pyridinyl)sulfonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197733
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol (CID 66260969) is [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol is O=S(=O)(c1cncc(Br)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is JTQQKCLAAFHMSS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-4-10(6-12-5-8)17(15,16)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2/t9-/m0/s1.
What are the key properties of [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 321.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66260969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).