4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine

C15H25NO2S — CID 64705404

IUPAC4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-9-16-12(2)10-13(3)19(17)15-8-6-7-14(11-15)18-4/h6-8,11-13,16H,5,9-10H2,1-4H3
InChIKeyUEKNXQYBLVBPFC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.97
Rot. Bonds8

About 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine

4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine (PubChem CID 64705404) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine
PubChem CID64705404
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-9-16-12(2)10-13(3)19(17)15-8-6-7-14(11-15)18-4/h6-8,11-13,16H,5,9-10H2,1-4H3
InChIKeyUEKNXQYBLVBPFC-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-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

4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64900579
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
N-[1-(3-methoxyphenyl)-2-(2-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107759934
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64659343
tert-butyl 2-(3-methoxyphenyl)sulfinylpropanoate
CID 66338152
2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658938
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine (CID 64705404) is 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine is CCCNC(C)CC(C)S(=O)c1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine?
The InChIKey is UEKNXQYBLVBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-9-16-12(2)10-13(3)19(17)15-8-6-7-14(11-15)18-4/h6-8,11-13,16H,5,9-10H2,1-4H3.
What are the key properties of 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine?
4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64705404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).