3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine

C8H19NO2S — CID 115720796

IUPAC3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine
SMILESCOC(C)C(C)NCCS(C)=O
InChIInChI=1S/C8H19NO2S/c1-7(8(2)11-3)9-5-6-12(4)10/h7-9H,5-6H2,1-4H3
InChIKeyBKYMHKXMZBGBCD-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.38
Rot. Bonds6

About 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine

3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine (PubChem CID 115720796) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine
PubChem CID115720796
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine
SMILESCOC(C)C(C)NCCS(C)=O
InChIInChI=1S/C8H19NO2S/c1-7(8(2)11-3)9-5-6-12(4)10/h7-9H,5-6H2,1-4H3
InChIKeyBKYMHKXMZBGBCD-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896258
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
CID 115723500
N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
CID 115705131
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
CID 115707779
5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine
CID 115720775
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
3-methylsulfinyl-N-propan-2-ylpropan-1-amine
CID 64655620
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine (CID 115720796) is 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine is COC(C)C(C)NCCS(C)=O.
What is the InChIKey of 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine?
The InChIKey is BKYMHKXMZBGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(8(2)11-3)9-5-6-12(4)10/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine?
3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine is sourced from PubChem (CID 115720796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).