1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine

C9H21NO2S — CID 64652303

IUPAC1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCOCCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-9(2,3)8(10)7-13(11)6-5-12-4/h8H,5-7,10H2,1-4H3
InChIKeyJMURRNFMOUVSRW-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine

1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine (PubChem CID 64652303) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine
PubChem CID64652303
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCOCCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-9(2,3)8(10)7-13(11)6-5-12-4/h8H,5-7,10H2,1-4H3
InChIKeyJMURRNFMOUVSRW-UHFFFAOYSA-N
XLogP0.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine (CID 64652303) is 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine is COCCS(=O)CC(N)C(C)(C)C.
What is the InChIKey of 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine?
The InChIKey is JMURRNFMOUVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2,3)8(10)7-13(11)6-5-12-4/h8H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine?
1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64652303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).