1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine

C12H27NO2S — CID 107759512

IUPAC1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)C(C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-13-12(8-15-5)9-16(14)11(4)10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyZQTZLJZDMHBYNH-UHFFFAOYSA-N
MW249.42 g/mol
LogP1.79
Rot. Bonds9

About 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine

1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine (PubChem CID 107759512) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
PubChem CID107759512
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)CS(=O)C(C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-13-12(8-15-5)9-16(14)11(4)10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyZQTZLJZDMHBYNH-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfinyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116249850
N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine
CID 134579860
2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine
CID 135173503
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-1-amine
CID 146640301
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]propan-2-amine
CID 156046251
2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-2-amine
CID 156059545
[(3R)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)azanium
CID 7128943
[(3S)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)azanium
CID 7128945
N-(1-methoxypropan-2-yl)-1,1-dioxothiolan-3-amine
CID 20115709
N-(2-ethoxyethyl)-1,1-dioxothiolan-3-amine
CID 43387921
N-(2-methoxyethyl)-1,1-dioxothian-4-amine
CID 43511424
N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
CID 43511456

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine (CID 107759512) is 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine is CCCNC(COC)CS(=O)C(C)C(C)C.
What is the InChIKey of 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine?
The InChIKey is ZQTZLJZDMHBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-7-13-12(8-15-5)9-16(14)11(4)10(2)3/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine?
1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 107759512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).