2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine

C12H19NO3S — CID 82360005

IUPAC2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
SMILESCCS(=O)(=O)C(C)C(N)c1cccc(OC)c1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)9(2)12(13)10-6-5-7-11(8-10)16-3/h5-9,12H,4,13H2,1-3H3
InChIKeyFKLITKWQQATZCF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.52
Rot. Bonds5

About 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine

2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine (PubChem CID 82360005) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
PubChem CID82360005
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
SMILESCCS(=O)(=O)C(C)C(N)c1cccc(OC)c1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)9(2)12(13)10-6-5-7-11(8-10)16-3/h5-9,12H,4,13H2,1-3H3
InChIKeyFKLITKWQQATZCF-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
4-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450757
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine (CID 82360005) is 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine is CCS(=O)(=O)C(C)C(N)c1cccc(OC)c1.
What is the InChIKey of 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine?
The InChIKey is FKLITKWQQATZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(14,15)9(2)12(13)10-6-5-7-11(8-10)16-3/h5-9,12H,4,13H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine?
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82360005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).