3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine

C15H25NOS — CID 64653841

IUPAC3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-11(16-6)12(2)18(17)14-9-7-13(8-10-14)15(3,4)5/h7-12,16H,1-6H3
InChIKeyJMXJALCMRJUVEC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine

3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine (PubChem CID 64653841) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine
PubChem CID64653841
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-11(16-6)12(2)18(17)14-9-7-13(8-10-14)15(3,4)5/h7-12,16H,1-6H3
InChIKeyJMXJALCMRJUVEC-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine (CID 64653841) is 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine is CNC(C)C(C)S(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine?
The InChIKey is JMXJALCMRJUVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11(16-6)12(2)18(17)14-9-7-13(8-10-14)15(3,4)5/h7-12,16H,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine?
3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfinyl-N-methylbutan-2-amine is sourced from PubChem (CID 64653841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).