2-(4-methylsulfonylphenyl)ethanamine chloride

C9H13ClNO2S- — CID 20849935

IUPAC2-(4-methylsulfonylphenyl)ethanamine chloride
SMILESCS(=O)(=O)c1ccc(CCN)cc1.[Cl-]
InChIInChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H/p-1
InChIKeyWVEHJGNXMCKZNO-UHFFFAOYSA-M
MW234.73 g/mol
LogP-2.40
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)ethanamine chloride

2-(4-methylsulfonylphenyl)ethanamine chloride (PubChem CID 20849935) has the molecular formula C9H13ClNO2S- and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)ethanamine chloride.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)ethanamine chloride
PubChem CID20849935
Molecular FormulaC9H13ClNO2S-
Molecular Weight234.73 g/mol
Exact Mass234.04
IUPAC Name2-(4-methylsulfonylphenyl)ethanamine chloride
SMILESCS(=O)(=O)c1ccc(CCN)cc1.[Cl-]
InChIInChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H/p-1
InChIKeyWVEHJGNXMCKZNO-UHFFFAOYSA-M
XLogP-2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-methylsulfonylphenyl)ethyl]ethane-1,2-diamine
CID 115195453
4-(2-aminoethyl)benzenesulfonyl fluoride
CID 1701
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803153
2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
CID 63203657
1-(4-bromobutyl)-4-methylsulfonylbenzene
CID 83967555
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)ethanamine chloride?
The IUPAC name of 2-(4-methylsulfonylphenyl)ethanamine chloride (CID 20849935) is 2-(4-methylsulfonylphenyl)ethanamine chloride.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)ethanamine chloride?
The canonical SMILES for 2-(4-methylsulfonylphenyl)ethanamine chloride is CS(=O)(=O)c1ccc(CCN)cc1.[Cl-].
What is the InChIKey of 2-(4-methylsulfonylphenyl)ethanamine chloride?
The InChIKey is WVEHJGNXMCKZNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H/p-1.
What are the key properties of 2-(4-methylsulfonylphenyl)ethanamine chloride?
2-(4-methylsulfonylphenyl)ethanamine chloride has a molecular weight of 234.73 g/mol, XLogP of -2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)ethanamine chloride is sourced from PubChem (CID 20849935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).