N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine

C15H25NO2S — CID 64659700

IUPACN-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CS(=O)c1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-6-16-14(15(2,3)4)11-19(17)13-9-7-8-12(10-13)18-5/h7-10,14,16H,6,11H2,1-5H3
InChIKeyXENJECGKZCFDLT-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine

N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine (PubChem CID 64659700) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
PubChem CID64659700
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CS(=O)c1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-6-16-14(15(2,3)4)11-19(17)13-9-7-8-12(10-13)18-5/h7-10,14,16H,6,11H2,1-5H3
InChIKeyXENJECGKZCFDLT-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64900579
N-ethyl-3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfinylbutan-2-amine
CID 64656477
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-2-amine
CID 64659145
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64650987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine (CID 64659700) is N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine is CCNC(CS(=O)c1cccc(OC)c1)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine?
The InChIKey is XENJECGKZCFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-16-14(15(2,3)4)11-19(17)13-9-7-8-12(10-13)18-5/h7-10,14,16H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine?
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).