[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine

C12H19NO3S — CID 64646888

IUPAC[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
SMILESCCCS(=O)(=O)Cc1cc(CN)ccc1OC
InChIInChI=1S/C12H19NO3S/c1-3-6-17(14,15)9-11-7-10(8-13)4-5-12(11)16-2/h4-5,7H,3,6,8-9,13H2,1-2H3
InChIKeyNBGJZVGZHGNLBP-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.48
Rot. Bonds6

About [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine

[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine (PubChem CID 64646888) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
PubChem CID64646888
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
SMILESCCCS(=O)(=O)Cc1cc(CN)ccc1OC
InChIInChI=1S/C12H19NO3S/c1-3-6-17(14,15)9-11-7-10(8-13)4-5-12(11)16-2/h4-5,7H,3,6,8-9,13H2,1-2H3
InChIKeyNBGJZVGZHGNLBP-UHFFFAOYSA-N
XLogP1.48
TPSA69.39 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64646753
N-[[4-methoxy-3-(propylsulfonylmethyl)phenyl]methyl]propan-1-amine
CID 64647084
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
CID 102670591
[2-methoxy-5-(3-methoxypropylsulfonylmethyl)phenyl]methanamine
CID 65344155
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
N-[[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]methyl]ethanamine
CID 64646928
[4-methoxy-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]methanamine
CID 106496038
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
[4-methoxy-3-(2-methylsulfonylethylsulfinylmethyl)phenyl]methanamine
CID 64676478
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine (CID 64646888) is [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine is CCCS(=O)(=O)Cc1cc(CN)ccc1OC.
What is the InChIKey of [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine?
The InChIKey is NBGJZVGZHGNLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-6-17(14,15)9-11-7-10(8-13)4-5-12(11)16-2/h4-5,7H,3,6,8-9,13H2,1-2H3.
What are the key properties of [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine?
[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine has a molecular weight of 257.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64646888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).