1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine

C14H23NO3S — CID 115820668

IUPAC1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
SMILESCOc1ccc(CCC(N)CCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-18-14-9-6-12(7-10-14)5-8-13(15)4-3-11-19(2,16)17/h6-7,9-10,13H,3-5,8,11,15H2,1-2H3
InChIKeyNCEWPVGAHXNXTB-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds8

About 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine

1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine (PubChem CID 115820668) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
PubChem CID115820668
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
SMILESCOc1ccc(CCC(N)CCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-18-14-9-6-12(7-10-14)5-8-13(15)4-3-11-19(2,16)17/h6-7,9-10,13H,3-5,8,11,15H2,1-2H3
InChIKeyNCEWPVGAHXNXTB-UHFFFAOYSA-N
XLogP1.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
CID 114984994
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
CID 105310787
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
6-methylsulfonyl-1-phenoxyhexan-3-amine
CID 63192307
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
1-(4-methoxyphenyl)-5-methylsulfonylpentan-2-one
CID 63192392
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine (CID 115820668) is 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine is COc1ccc(CCC(N)CCCS(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine?
The InChIKey is NCEWPVGAHXNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-18-14-9-6-12(7-10-14)5-8-13(15)4-3-11-19(2,16)17/h6-7,9-10,13H,3-5,8,11,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine?
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine has a molecular weight of 285.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 115820668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).