(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

C9H12BrN3O3S — CID 66820212

IUPAC(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H12BrN3O3S/c10-6-3-8(9(11)12-4-6)17(15,16)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2,(H2,11,12)/t7-/m1/s1
InChIKeyNZYIBNMOYBEJQQ-SSDOTTSWSA-N
MW322.18 g/mol
LogP0.18
Rot. Bonds2

About (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (PubChem CID 66820212) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
PubChem CID66820212
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC Name(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H12BrN3O3S/c10-6-3-8(9(11)12-4-6)17(15,16)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2,(H2,11,12)/t7-/m1/s1
InChIKeyNZYIBNMOYBEJQQ-SSDOTTSWSA-N
XLogP0.18
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (CID 66820212) is (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is Nc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is NZYIBNMOYBEJQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c10-6-3-8(9(11)12-4-6)17(15,16)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2,(H2,11,12)/t7-/m1/s1.
What are the key properties of (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 322.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 66820212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).