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

C12H15N3O3S — CID 62370984

IUPAC[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(CO)C1
InChIInChI=1S/C12H15N3O3S/c16-8-9-3-5-15(7-9)19(17,18)11-6-14-12-10(11)2-1-4-13-12/h1-2,4,6,9,16H,3,5,7-8H2,(H,13,14)
InChIKeyNJKDVFICDCNXBT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.57
Rot. Bonds3

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

[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 62370984) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID62370984
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(CO)C1
InChIInChI=1S/C12H15N3O3S/c16-8-9-3-5-15(7-9)19(17,18)11-6-14-12-10(11)2-1-4-13-12/h1-2,4,6,9,16H,3,5,7-8H2,(H,13,14)
InChIKeyNJKDVFICDCNXBT-UHFFFAOYSA-N
XLogP0.57
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.57
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-yl]methanol?
The IUPAC name of [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol (CID 62370984) is [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(c1c[nH]c2ncccc12)N1CCC(CO)C1.
What is the InChIKey of [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is NJKDVFICDCNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-8-9-3-5-15(7-9)19(17,18)11-6-14-12-10(11)2-1-4-13-12/h1-2,4,6,9,16H,3,5,7-8H2,(H,13,14).
What are the key properties of [1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 281.34 g/mol, XLogP of 0.57, 3 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-yl]methanol is sourced from PubChem (CID 62370984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).