1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol

C10H23NO3S — CID 106990993

IUPAC1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSCC(C)(C)N
InChIInChI=1S/C10H23NO3S/c1-10(2,11)8-15-7-9(12)6-14-5-4-13-3/h9,12H,4-8,11H2,1-3H3
InChIKeyXMFFEDYXPAFYBO-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.48
Rot. Bonds9

About 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol

1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990993) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990993
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSCC(C)(C)N
InChIInChI=1S/C10H23NO3S/c1-10(2,11)8-15-7-9(12)6-14-5-4-13-3/h9,12H,4-8,11H2,1-3H3
InChIKeyXMFFEDYXPAFYBO-UHFFFAOYSA-N
XLogP0.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66223596
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
methyl 3-[2-hydroxy-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]sulfanylpropanoate
CID 157247547
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
3-[2-(2,3-dihydroxypropylsulfanyl)-3-(2-methoxyethoxy)propyl]sulfanylpropane-1,2-diol
CID 130376503
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol (CID 106990993) is 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CSCC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is XMFFEDYXPAFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2,11)8-15-7-9(12)6-14-5-4-13-3/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).