1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine

C11H25NO2S — CID 81189513

IUPAC1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)CCOCCC(C)C
InChIInChI=1S/C11H25NO2S/c1-4-11(12)9-15(13)8-7-14-6-5-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyGVQWVZYVGBXUKV-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.54
Rot. Bonds9

About 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine

1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine (PubChem CID 81189513) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
PubChem CID81189513
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)CCOCCC(C)C
InChIInChI=1S/C11H25NO2S/c1-4-11(12)9-15(13)8-7-14-6-5-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyGVQWVZYVGBXUKV-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]butan-2-amine
CID 81188472
1-(3-methylbutoxy)pentan-3-amine
CID 62599909
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
CID 106735786
2-[1-[2-(3-methylbutoxy)ethylsulfinylmethyl]cyclopropyl]acetic acid
CID 65441761
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
1-(3-ethoxypropylsulfinyl)propan-2-amine
CID 81189662
1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine (CID 81189513) is 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine is CCC(N)CS(=O)CCOCCC(C)C.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine?
The InChIKey is GVQWVZYVGBXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-11(12)9-15(13)8-7-14-6-5-10(2)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine?
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine is sourced from PubChem (CID 81189513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).