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

C11H16BrN3O3S — CID 112628564

IUPAC[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H16BrN3O3S/c1-13-11-10(4-9(12)5-14-11)19(17,18)15-3-2-8(6-15)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyFPIODVPAEFYKLT-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.89
Rot. Bonds4

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

[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (PubChem CID 112628564) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
PubChem CID112628564
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H16BrN3O3S/c1-13-11-10(4-9(12)5-14-11)19(17,18)15-3-2-8(6-15)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyFPIODVPAEFYKLT-UHFFFAOYSA-N
XLogP0.89
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
CID 62163664
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
5-bromo-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63616444
[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628547
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106836374
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61299120
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550

Frequently Asked Questions

What is the IUPAC name of [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol (CID 112628564) is [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is CNc1ncc(Br)cc1S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
The InChIKey is FPIODVPAEFYKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-13-11-10(4-9(12)5-14-11)19(17,18)15-3-2-8(6-15)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol?
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol has a molecular weight of 350.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).