1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H14ClIN2O2S — CID 165111775

IUPAC1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccc2I)C1
InChIInChI=1S/C10H13IN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-6-5-8(12)7-13;/h1-4,8H,5-7,12H2;1H
InChIKeyPEAGFYOVLKSWLX-UHFFFAOYSA-N
MW388.66 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 165111775) has the molecular formula C10H14ClIN2O2S and a molecular weight of 388.66 g/mol. Its IUPAC name is 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID165111775
Molecular FormulaC10H14ClIN2O2S
Molecular Weight388.66 g/mol
Exact Mass387.95
IUPAC Name1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccc2I)C1
InChIInChI=1S/C10H13IN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-6-5-8(12)7-13;/h1-4,8H,5-7,12H2;1H
InChIKeyPEAGFYOVLKSWLX-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 165111775) is 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccccc2I)C1.
What is the InChIKey of 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is PEAGFYOVLKSWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-6-5-8(12)7-13;/h1-4,8H,5-7,12H2;1H.
What are the key properties of 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 388.66 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 165111775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).