1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine

C10H16INO2S — CID 138702107

IUPAC1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C1CCCC1)N1CC=C(I)CC1
InChIInChI=1S/C10H16INO2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h5,10H,1-4,6-8H2
InChIKeyYATHGDKFCKKIEY-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.28
Rot. Bonds2

About 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine

1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine (PubChem CID 138702107) has the molecular formula C10H16INO2S and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine
PubChem CID138702107
Molecular FormulaC10H16INO2S
Molecular Weight341.21 g/mol
Exact Mass340.99
IUPAC Name1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C1CCCC1)N1CC=C(I)CC1
InChIInChI=1S/C10H16INO2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h5,10H,1-4,6-8H2
InChIKeyYATHGDKFCKKIEY-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 105361207
1-cyclopentylsulfonylazetidin-3-amine
CID 105361409
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122162038
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110616587
2-cyclopropylsulfonyl-1,3-dihydroisoindole
CID 122244979
1-(bromomethylsulfonyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 130652131
1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine (CID 138702107) is 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine is O=S(=O)(C1CCCC1)N1CC=C(I)CC1.
What is the InChIKey of 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine?
The InChIKey is YATHGDKFCKKIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h5,10H,1-4,6-8H2.
What are the key properties of 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine?
1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine has a molecular weight of 341.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138702107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).