1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine

C10H23NO3S — CID 103416100

IUPAC1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)CCCOCCOC
InChIInChI=1S/C10H23NO3S/c1-3-10(11)9-15(12)8-4-5-14-7-6-13-2/h10H,3-9,11H2,1-2H3
InChIKeyNJOMLHWGQATHLS-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.53
Rot. Bonds10

About 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine

1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine (PubChem CID 103416100) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
PubChem CID103416100
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)CCCOCCOC
InChIInChI=1S/C10H23NO3S/c1-3-10(11)9-15(12)8-4-5-14-7-6-13-2/h10H,3-9,11H2,1-2H3
InChIKeyNJOMLHWGQATHLS-UHFFFAOYSA-N
XLogP0.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
1-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]butan-2-amine
CID 81188472
2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid
CID 103411624
1-(3-ethoxypropylsulfinyl)propan-2-amine
CID 81189662
4-(2-aminobutylsulfinyl)-N-methylbutanamide
CID 81189749
N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 103409694
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
CID 64659989
4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
CID 81195475

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine (CID 103416100) is 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine is CCC(N)CS(=O)CCCOCCOC.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine?
The InChIKey is NJOMLHWGQATHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-10(11)9-15(12)8-4-5-14-7-6-13-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine?
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine is sourced from PubChem (CID 103416100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).