1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine

C12H19NO3S — CID 64647341

IUPAC1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)(=O)c1ccc(OC)cc1)NC
InChIInChI=1S/C12H19NO3S/c1-4-10(13-2)9-17(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyBCDJWBZKHZROBF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine

1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine (PubChem CID 64647341) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
PubChem CID64647341
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)(=O)c1ccc(OC)cc1)NC
InChIInChI=1S/C12H19NO3S/c1-4-10(13-2)9-17(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyBCDJWBZKHZROBF-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
1-[2-(bromomethyl)butylsulfonyl]-4-methoxybenzene
CID 65000790
1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine
CID 64644869
N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
CID 62647776
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
tert-butyl (2S)-2-[(4-methoxyphenyl)sulfonylmethyl]butanoate
CID 148807965
1-butylsulfonyl-4-methoxybenzene
CID 12696371
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
1-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonyl-4-methoxybenzene
CID 65016802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine (CID 64647341) is 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine is CCC(CS(=O)(=O)c1ccc(OC)cc1)NC.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
The InChIKey is BCDJWBZKHZROBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-10(13-2)9-17(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine?
1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine is sourced from PubChem (CID 64647341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).