3-piperidin-1-yl-1H-indazole-5-sulfinic acid

C12H15N3O2S — CID 90745545

IUPAC3-piperidin-1-yl-1H-indazole-5-sulfinic acid
SMILESO=S(O)c1ccc2[nH]nc(N3CCCCC3)c2c1
InChIInChI=1S/C12H15N3O2S/c16-18(17)9-4-5-11-10(8-9)12(14-13-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14)(H,16,17)
InChIKeyQRYCZWULDQLCBD-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.13
Rot. Bonds2

About 3-piperidin-1-yl-1H-indazole-5-sulfinic acid

3-piperidin-1-yl-1H-indazole-5-sulfinic acid (PubChem CID 90745545) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-indazole-5-sulfinic acid.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-indazole-5-sulfinic acid
PubChem CID90745545
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-piperidin-1-yl-1H-indazole-5-sulfinic acid
SMILESO=S(O)c1ccc2[nH]nc(N3CCCCC3)c2c1
InChIInChI=1S/C12H15N3O2S/c16-18(17)9-4-5-11-10(8-9)12(14-13-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14)(H,16,17)
InChIKeyQRYCZWULDQLCBD-UHFFFAOYSA-N
XLogP2.13
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-pyrrolidin-1-yl-1H-indazole
CID 86133724
3-(azocan-1-yl)-1H-indazole
CID 178043244
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
3-(4-ethylpiperazin-1-yl)-5-iodo-1H-indazole
CID 58042236
3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
CID 10244398
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid
CID 117102593
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137312708
1-[(3R)-1-(1H-indazol-3-yl)piperidin-3-yl]but-3-en-2-one
CID 160821976

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-indazole-5-sulfinic acid?
The IUPAC name of 3-piperidin-1-yl-1H-indazole-5-sulfinic acid (CID 90745545) is 3-piperidin-1-yl-1H-indazole-5-sulfinic acid.
What is the SMILES notation for 3-piperidin-1-yl-1H-indazole-5-sulfinic acid?
The canonical SMILES for 3-piperidin-1-yl-1H-indazole-5-sulfinic acid is O=S(O)c1ccc2[nH]nc(N3CCCCC3)c2c1.
What is the InChIKey of 3-piperidin-1-yl-1H-indazole-5-sulfinic acid?
The InChIKey is QRYCZWULDQLCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-18(17)9-4-5-11-10(8-9)12(14-13-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,13,14)(H,16,17).
What are the key properties of 3-piperidin-1-yl-1H-indazole-5-sulfinic acid?
3-piperidin-1-yl-1H-indazole-5-sulfinic acid has a molecular weight of 265.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-indazole-5-sulfinic acid is sourced from PubChem (CID 90745545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).