N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine

C16H27NOS — CID 104537779

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-12(11-19(6)18)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3
InChIKeyGGHPUOJDXUFJSI-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine

N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine (PubChem CID 104537779) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
PubChem CID104537779
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-12(11-19(6)18)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3
InChIKeyGGHPUOJDXUFJSI-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
CID 104537498
4-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzonitrile
CID 113424502
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711277
1-methylsulfinyl-N-propan-2-ylpropan-2-amine
CID 104537797
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-cyclopropyl-2-methylpropane-2-sulfinamide
CID 154659527
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
N-[1-(4-tert-butylphenyl)ethyl]formamide
CID 64990834
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 113424478

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine (CID 104537779) is N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine is CC(CS(C)=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine?
The InChIKey is GGHPUOJDXUFJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(11-19(6)18)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine?
N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine is sourced from PubChem (CID 104537779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).