2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine

C14H23NOS — CID 64652155

IUPAC2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CS(=O)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H23NOS/c1-11-6-8-12(9-7-11)13(15-5)10-17(16)14(2,3)4/h6-9,13,15H,10H2,1-5H3
InChIKeyLTUNWMMAAGDFSR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds4

About 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine

2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 64652155) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID64652155
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CS(=O)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H23NOS/c1-11-6-8-12(9-7-11)13(15-5)10-17(16)14(2,3)4/h6-9,13,15H,10H2,1-5H3
InChIKeyLTUNWMMAAGDFSR-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
2-methyl-N-[(1R)-1-(4-methylphenyl)but-3-enyl]propane-2-sulfinamide
CID 101416898
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
2-tert-butylsulfinyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64652140
ethyl (4R)-4-(tert-butylsulfinylamino)-4-(4-methylphenyl)butanoate
CID 102289128

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine (CID 64652155) is 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CS(=O)C(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is LTUNWMMAAGDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-6-8-12(9-7-11)13(15-5)10-17(16)14(2,3)4/h6-9,13,15H,10H2,1-5H3.
What are the key properties of 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64652155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).