N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine

C14H23NOS — CID 115720610

IUPACN-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCCS(C)=O)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)13-5-7-14(8-6-13)12(3)15-9-10-17(4)16/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyPVQBUEOEXDQVQL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.84
Rot. Bonds6

About N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine

N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115720610) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID115720610
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCCS(C)=O)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)13-5-7-14(8-6-13)12(3)15-9-10-17(4)16/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyPVQBUEOEXDQVQL-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
N-(2-methylsulfinylethyl)-1-(3-nitrophenyl)ethanamine
CID 113247006
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
CID 115718978
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 115720610) is N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCCS(C)=O)cc1.
What is the InChIKey of N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is PVQBUEOEXDQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)13-5-7-14(8-6-13)12(3)15-9-10-17(4)16/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115720610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).