(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine

C7H17NO3S2 — CID 134895058

IUPAC(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine
SMILESCOCOC[C@@H](N)CS(=O)CSC
InChIInChI=1S/C7H17NO3S2/c1-10-5-11-3-7(8)4-13(9)6-12-2/h7H,3-6,8H2,1-2H3/t7-,13?/m1/s1
InChIKeyLQPIHSNMNUXWPB-KMPCPTCDSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds8

About (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine

(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine (PubChem CID 134895058) has the molecular formula C7H17NO3S2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine
PubChem CID134895058
Molecular FormulaC7H17NO3S2
Molecular Weight227.35 g/mol
Exact Mass227.06
IUPAC Name(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine
SMILESCOCOC[C@@H](N)CS(=O)CSC
InChIInChI=1S/C7H17NO3S2/c1-10-5-11-3-7(8)4-13(9)6-12-2/h7H,3-6,8H2,1-2H3/t7-,13?/m1/s1
InChIKeyLQPIHSNMNUXWPB-KMPCPTCDSA-N
XLogP0.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
1-(methylsulfanylmethylsulfinyl)ethane
CID 24977145
1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
CID 107508747
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
3-(methoxymethoxy)-2-methylpropanal
CID 15597941
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1,2,3-tris(methoxymethoxy)propane
CID 54530137
3-amino-5-(methoxymethoxy)pentanoic acid
CID 87227923
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
bis(4-(methoxymethoxy)-3-(methoxymethoxymethyl)butan-2-one);3-(methoxymethoxy)-2-(methoxymethoxymethyl)propanoic acid
CID 160850611

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine?
The IUPAC name of (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine (CID 134895058) is (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine?
The canonical SMILES for (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine is COCOC[C@@H](N)CS(=O)CSC.
What is the InChIKey of (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine?
The InChIKey is LQPIHSNMNUXWPB-KMPCPTCDSA-N. The full InChI is InChI=1S/C7H17NO3S2/c1-10-5-11-3-7(8)4-13(9)6-12-2/h7H,3-6,8H2,1-2H3/t7-,13?/m1/s1.
What are the key properties of (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine?
(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine is sourced from PubChem (CID 134895058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).