3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine

C12H19NO3S — CID 115048069

IUPAC3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(C)N)cc1
InChIInChI=1S/C12H19NO3S/c1-9(13)12(2,3)17(14,15)11-7-5-10(16-4)6-8-11/h5-9H,13H2,1-4H3
InChIKeyHXHPKCJNYDKJEC-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.59
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine

3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine (PubChem CID 115048069) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
PubChem CID115048069
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(C)N)cc1
InChIInChI=1S/C12H19NO3S/c1-9(13)12(2,3)17(14,15)11-7-5-10(16-4)6-8-11/h5-9H,13H2,1-4H3
InChIKeyHXHPKCJNYDKJEC-UHFFFAOYSA-N
XLogP1.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
4-methoxybenzenesulfonyl iodide
CID 23080708
1-methoxy-4-[2-[4-(4-propan-2-ylsulfonylphenoxy)phenyl]propan-2-yl]benzene
CID 135139809
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine (CID 115048069) is 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine is COc1ccc(S(=O)(=O)C(C)(C)C(C)N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine?
The InChIKey is HXHPKCJNYDKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(13)12(2,3)17(14,15)11-7-5-10(16-4)6-8-11/h5-9H,13H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine?
3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine is sourced from PubChem (CID 115048069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).