N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide

C8H10IN3O3S — CID 149149482

IUPACN-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide
SMILESCS(=O)(=O)c1cnc(N)c(NC(=O)CI)c1
InChIInChI=1S/C8H10IN3O3S/c1-16(14,15)5-2-6(8(10)11-4-5)12-7(13)3-9/h2,4H,3H2,1H3,(H2,10,11)(H,12,13)
InChIKeyIHSBKOUPGDCHMI-UHFFFAOYSA-N
MW355.16 g/mol
LogP0.44
Rot. Bonds3

About N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide

N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide (PubChem CID 149149482) has the molecular formula C8H10IN3O3S and a molecular weight of 355.16 g/mol. Its IUPAC name is N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide
PubChem CID149149482
Molecular FormulaC8H10IN3O3S
Molecular Weight355.16 g/mol
Exact Mass354.95
IUPAC NameN-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide
SMILESCS(=O)(=O)c1cnc(N)c(NC(=O)CI)c1
InChIInChI=1S/C8H10IN3O3S/c1-16(14,15)5-2-6(8(10)11-4-5)12-7(13)3-9/h2,4H,3H2,1H3,(H2,10,11)(H,12,13)
InChIKeyIHSBKOUPGDCHMI-UHFFFAOYSA-N
XLogP0.44
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide?
The IUPAC name of N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide (CID 149149482) is N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide.
What is the SMILES notation for N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide?
The canonical SMILES for N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide is CS(=O)(=O)c1cnc(N)c(NC(=O)CI)c1.
What is the InChIKey of N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide?
The InChIKey is IHSBKOUPGDCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O3S/c1-16(14,15)5-2-6(8(10)11-4-5)12-7(13)3-9/h2,4H,3H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide?
N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide has a molecular weight of 355.16 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylsulfonyl-3-pyridinyl)-2-iodoacetamide is sourced from PubChem (CID 149149482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).