N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine

C12H18INOS — CID 115718978

IUPACN-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(I)cc1
InChIInChI=1S/C12H18INOS/c1-3-16(15)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyAPNWPDHPECYBTJ-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.71
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine

N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine (PubChem CID 115718978) has the molecular formula C12H18INOS and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
PubChem CID115718978
Molecular FormulaC12H18INOS
Molecular Weight351.25 g/mol
Exact Mass351.02
IUPAC NameN-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(I)cc1
InChIInChI=1S/C12H18INOS/c1-3-16(15)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyAPNWPDHPECYBTJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine 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-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 115718870
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
N-benzhydryl-2-ethylsulfinylethanamine
CID 115971917
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612714
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
1-(4-iodophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106425830

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine (CID 115718978) is N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine is CCS(=O)CCNC(C)c1ccc(I)cc1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine?
The InChIKey is APNWPDHPECYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INOS/c1-3-16(15)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine?
N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine has a molecular weight of 351.25 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115718978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).