N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine

C13H21NO2S — CID 64660191

IUPACN-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
SMILESCCNC(C)CCS(=O)c1ccccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-14-11(2)9-10-17(15)13-8-6-5-7-12(13)16-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyIMBKUVHNIDPYRG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.19
Rot. Bonds7

About N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine

N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine (PubChem CID 64660191) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
PubChem CID64660191
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
SMILESCCNC(C)CCS(=O)c1ccccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-14-11(2)9-10-17(15)13-8-6-5-7-12(13)16-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyIMBKUVHNIDPYRG-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239
N-[2-(2-methoxyphenyl)sulfinylethyl]propan-2-amine
CID 64659998
5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 81329091
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759551
N-[1-(2-methoxyphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760698
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine (CID 64660191) is N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine is CCNC(C)CCS(=O)c1ccccc1OC.
What is the InChIKey of N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine?
The InChIKey is IMBKUVHNIDPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-14-11(2)9-10-17(15)13-8-6-5-7-12(13)16-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine?
N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64660191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).