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

C12H19NO3S — CID 64644955

IUPAC3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO3S/c1-9(13-3)10(2)17(14,15)12-7-5-11(16-4)6-8-12/h5-10,13H,1-4H3
InChIKeyNSTWFHZQUYKVBE-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.47
Rot. Bonds5

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

3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine (PubChem CID 64644955) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
PubChem CID64644955
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO3S/c1-9(13-3)10(2)17(14,15)12-7-5-11(16-4)6-8-12/h5-10,13H,1-4H3
InChIKeyNSTWFHZQUYKVBE-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
CID 117037884
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
4-(4-methoxyphenyl)-N-propan-2-yloxybenzenesulfonamide
CID 122212592
4-methoxybenzenesulfonyl iodide
CID 23080708
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylbutan-2-amine
CID 64644677
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine (CID 64644955) is 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine is CNC(C)C(C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The InChIKey is NSTWFHZQUYKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(13-3)10(2)17(14,15)12-7-5-11(16-4)6-8-12/h5-10,13H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine is sourced from PubChem (CID 64644955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).