1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine

C14H23NO4S — CID 107508514

IUPAC1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO4S/c1-4-9-15-12(10-18-2)11-20(16,17)14-7-5-13(19-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGOZFLBBGDTZSAQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.48
Rot. Bonds9

About 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine

1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine (PubChem CID 107508514) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
PubChem CID107508514
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO4S/c1-4-9-15-12(10-18-2)11-20(16,17)14-7-5-13(19-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGOZFLBBGDTZSAQ-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
CID 63197602
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
1-[2-(bromomethyl)butylsulfonyl]-4-methoxybenzene
CID 65000790
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine (CID 107508514) is 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine is CCCNC(COC)CS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine?
The InChIKey is GOZFLBBGDTZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-9-15-12(10-18-2)11-20(16,17)14-7-5-13(19-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine?
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine has a molecular weight of 301.41 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 107508514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).