2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine

C15H25NO3S — CID 64647568

IUPAC2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(C)S(=O)(=O)CC
InChIInChI=1S/C15H25NO3S/c1-5-11-16-15(12(3)20(17,18)6-2)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyZKWOAHLNWUXJBG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds8

About 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine

2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 64647568) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID64647568
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(C)S(=O)(=O)CC
InChIInChI=1S/C15H25NO3S/c1-5-11-16-15(12(3)20(17,18)6-2)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyZKWOAHLNWUXJBG-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518757
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
3-[1-(4-methoxyphenyl)-1-(propylamino)propan-2-yl]sulfanylpropane-1,2-diol
CID 79672101
1-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518650

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine (CID 64647568) is 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine is CCCNC(c1ccc(OC)cc1)C(C)S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is ZKWOAHLNWUXJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-11-16-15(12(3)20(17,18)6-2)13-7-9-14(19-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine?
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 64647568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).