4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol

C11H15ClIN3O3S — CID 155600042

IUPAC4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(Nc2cc(I)c(Cl)cn2)C(O)C1
InChIInChI=1S/C11H15ClIN3O3S/c1-20(18,19)16-3-2-9(10(17)6-16)15-11-4-8(13)7(12)5-14-11/h4-5,9-10,17H,2-3,6H2,1H3,(H,14,15)
InChIKeyADARPTSKSNSUCL-UHFFFAOYSA-N
MW431.68 g/mol
LogP1.15
Rot. Bonds3

About 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol

4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol (PubChem CID 155600042) has the molecular formula C11H15ClIN3O3S and a molecular weight of 431.68 g/mol. Its IUPAC name is 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
PubChem CID155600042
Molecular FormulaC11H15ClIN3O3S
Molecular Weight431.68 g/mol
Exact Mass430.96
IUPAC Name4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(Nc2cc(I)c(Cl)cn2)C(O)C1
InChIInChI=1S/C11H15ClIN3O3S/c1-20(18,19)16-3-2-9(10(17)6-16)15-11-4-8(13)7(12)5-14-11/h4-5,9-10,17H,2-3,6H2,1H3,(H,14,15)
InChIKeyADARPTSKSNSUCL-UHFFFAOYSA-N
XLogP1.15
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.68
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol (CID 155600042) is 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CCC(Nc2cc(I)c(Cl)cn2)C(O)C1.
What is the InChIKey of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol?
The InChIKey is ADARPTSKSNSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O3S/c1-20(18,19)16-3-2-9(10(17)6-16)15-11-4-8(13)7(12)5-14-11/h4-5,9-10,17H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol?
4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol has a molecular weight of 431.68 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 155600042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).