N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine

C15H25NOS — CID 64656607

IUPACN-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-16-15(11-18(17)12(2)3)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyAPKQPANTLWFJES-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.19
Rot. Bonds7

About N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine

N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine (PubChem CID 64656607) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
PubChem CID64656607
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-16-15(11-18(17)12(2)3)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyAPKQPANTLWFJES-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
CID 64655218
1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
CID 64654570
N-[2-butan-2-ylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651695
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethyl]propan-1-amine
CID 107759461
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine (CID 64656607) is N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine is CCCNC(CS(=O)C(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
The InChIKey is APKQPANTLWFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-10-16-15(11-18(17)12(2)3)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine?
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine is sourced from PubChem (CID 64656607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).