3-(4-tert-butylphenyl)sulfonylpentan-1-amine

C15H25NO2S — CID 64696981

IUPAC3-(4-tert-butylphenyl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-13(10-11-16)19(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3
InChIKeyKLPDRLYEWNOYLU-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.89
Rot. Bonds5

About 3-(4-tert-butylphenyl)sulfonylpentan-1-amine

3-(4-tert-butylphenyl)sulfonylpentan-1-amine (PubChem CID 64696981) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonylpentan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonylpentan-1-amine
PubChem CID64696981
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-(4-tert-butylphenyl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-13(10-11-16)19(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3
InChIKeyKLPDRLYEWNOYLU-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)sulfonylpentan-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

3-(4-tert-butylphenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
CID 64697396
3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine
CID 90863249
2-(4-tert-butylphenyl)sulfonylpentan-3-ol
CID 106585369
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
p-t-Butylbenzenesulfonamide potassium
CID 66748434
1,4-ditert-butylbenzene;2,2-dimethylpropane;methylsulfonylmethane;propane
CID 157161752
3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697398
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
zinc bis(4-tert-butylbenzenesulfonate)
CID 139716478
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonylpentan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonylpentan-1-amine (CID 64696981) is 3-(4-tert-butylphenyl)sulfonylpentan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonylpentan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonylpentan-1-amine is CCC(CCN)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonylpentan-1-amine?
The InChIKey is KLPDRLYEWNOYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-13(10-11-16)19(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonylpentan-1-amine?
3-(4-tert-butylphenyl)sulfonylpentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonylpentan-1-amine is sourced from PubChem (CID 64696981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).