1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol

C8H19NO4S — CID 63934625

IUPAC1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCCOCC(O)CNCCS(C)(=O)=O
InChIInChI=1S/C8H19NO4S/c1-3-13-7-8(10)6-9-4-5-14(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyXCYONRZILSOANC-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.98
Rot. Bonds8

About 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol

1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol (PubChem CID 63934625) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
PubChem CID63934625
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCCOCC(O)CNCCS(C)(=O)=O
InChIInChI=1S/C8H19NO4S/c1-3-13-7-8(10)6-9-4-5-14(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyXCYONRZILSOANC-UHFFFAOYSA-N
XLogP-0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.98
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-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
1-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327
1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905370
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol (CID 63934625) is 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol is CCOCC(O)CNCCS(C)(=O)=O.
What is the InChIKey of 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The InChIKey is XCYONRZILSOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-3-13-7-8(10)6-9-4-5-14(2,11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol?
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol has a molecular weight of 225.31 g/mol, XLogP of -0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol is sourced from PubChem (CID 63934625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).