1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol

C11H13N3O3S — CID 55132702

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(O)C1
InChIInChI=1S/C11H13N3O3S/c15-8-3-5-14(7-8)18(16,17)10-6-13-11-9(10)2-1-4-12-11/h1-2,4,6,8,15H,3,5,7H2,(H,12,13)
InChIKeyLUPYQPRBJBQAMT-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.32
Rot. Bonds2

About 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 55132702) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
PubChem CID55132702
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(O)C1
InChIInChI=1S/C11H13N3O3S/c15-8-3-5-14(7-8)18(16,17)10-6-13-11-9(10)2-1-4-12-11/h1-2,4,6,8,15H,3,5,7H2,(H,12,13)
InChIKeyLUPYQPRBJBQAMT-UHFFFAOYSA-N
XLogP0.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol (CID 55132702) is 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol is O=S(=O)(c1c[nH]c2ncccc12)N1CCC(O)C1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is LUPYQPRBJBQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-8-3-5-14(7-8)18(16,17)10-6-13-11-9(10)2-1-4-12-11/h1-2,4,6,8,15H,3,5,7H2,(H,12,13).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 267.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 55132702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).