5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine

C15H25NO3S — CID 65097604

IUPAC5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCS(=O)(=O)CCCC(CN)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-20(17,18)10-4-5-14(12-16)11-13-6-8-15(19-2)9-7-13/h6-9,14H,3-5,10-12,16H2,1-2H3
InChIKeyNAYDPLDLRDUUNH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.03
Rot. Bonds9

About 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine

5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 65097604) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
PubChem CID65097604
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCS(=O)(=O)CCCC(CN)Cc1ccc(OC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-20(17,18)10-4-5-14(12-16)11-13-6-8-15(19-2)9-7-13/h6-9,14H,3-5,10-12,16H2,1-2H3
InChIKeyNAYDPLDLRDUUNH-UHFFFAOYSA-N
XLogP2.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
CID 105310787
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858
2-[(4-methoxyphenyl)methyl]-N-methyl-4-propylsulfonylbutan-1-amine
CID 106729723
2-[(4-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66058632
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62530583
2-[(3-methoxyphenyl)methyl]-4-methylsulfonylbutan-1-amine
CID 62529808
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine
CID 84723743

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine (CID 65097604) is 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine is CCS(=O)(=O)CCCC(CN)Cc1ccc(OC)cc1.
What is the InChIKey of 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is NAYDPLDLRDUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-20(17,18)10-4-5-14(12-16)11-13-6-8-15(19-2)9-7-13/h6-9,14H,3-5,10-12,16H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine?
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).