1-(4-methoxyphenyl)sulfonylethanamine

C9H13NO3S — CID 117036167

IUPAC1-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)C(C)N)cc1
InChIInChI=1S/C9H13NO3S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7H,10H2,1-2H3
InChIKeyGREVIBOSYMCFTE-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.77
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonylethanamine

1-(4-methoxyphenyl)sulfonylethanamine (PubChem CID 117036167) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylethanamine
PubChem CID117036167
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)C(C)N)cc1
InChIInChI=1S/C9H13NO3S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7H,10H2,1-2H3
InChIKeyGREVIBOSYMCFTE-UHFFFAOYSA-N
XLogP0.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64644955
3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
CID 115048069
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-hydroxy-4-(4-methoxyphenyl)sulfonylpentanoic acid
CID 70021771
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-methoxybenzenesulfonyl iodide
CID 23080708
1-methoxy-4-[2-[4-(4-propan-2-ylsulfonylphenoxy)phenyl]propan-2-yl]benzene
CID 135139809
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
ethyl 2-(4-methoxyphenyl)sulfonylpentanoate
CID 10979504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylethanamine (CID 117036167) is 1-(4-methoxyphenyl)sulfonylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylethanamine is COc1ccc(S(=O)(=O)C(C)N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylethanamine?
The InChIKey is GREVIBOSYMCFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7H,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonylethanamine?
1-(4-methoxyphenyl)sulfonylethanamine has a molecular weight of 215.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylethanamine is sourced from PubChem (CID 117036167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).