3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine

C7H17NO2S — CID 81201842

IUPAC3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine
SMILESCCOCS(=O)CC(C)CN
InChIInChI=1S/C7H17NO2S/c1-3-10-6-11(9)5-7(2)4-8/h7H,3-6,8H2,1-2H3
InChIKeyFYZPFXQXZCVERN-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.32
Rot. Bonds6

About 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine

3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine (PubChem CID 81201842) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine
PubChem CID81201842
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine
SMILESCCOCS(=O)CC(C)CN
InChIInChI=1S/C7H17NO2S/c1-3-10-6-11(9)5-7(2)4-8/h7H,3-6,8H2,1-2H3
InChIKeyFYZPFXQXZCVERN-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81202164
2-(ethoxymethylsulfinyl)ethanamine
CID 81175011
3-butylsulfinyl-2-methylpropan-1-amine
CID 81200794
3-ethoxy-2-methylpropan-1-amine
CID 43175050
3-amino-2-methylpropane-1-sulfinic acid
CID 55285402
2-methyl-3-pentan-3-ylsulfinylpropan-1-amine
CID 81201946
2-methyl-3-[2-(trifluoromethoxy)ethylsulfinyl]propan-1-amine
CID 81202273
4-(3-amino-2-methylpropyl)sulfinylbutanenitrile
CID 81201564
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81201126

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine (CID 81201842) is 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine is CCOCS(=O)CC(C)CN.
What is the InChIKey of 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine?
The InChIKey is FYZPFXQXZCVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-3-10-6-11(9)5-7(2)4-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine?
3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81201842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).