3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol

C8H18N2O5S — CID 106102940

IUPAC3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
SMILESCOCCNS(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H18N2O5S/c1-14-5-3-9-16(12,13)10-6-8(11)2-4-15-7-8/h9-11H,2-7H2,1H3
InChIKeyNGQGDIJMKBPTGF-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.79
Rot. Bonds7

About 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol

3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol (PubChem CID 106102940) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
PubChem CID106102940
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
SMILESCOCCNS(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H18N2O5S/c1-14-5-3-9-16(12,13)10-6-8(11)2-4-15-7-8/h9-11H,2-7H2,1H3
InChIKeyNGQGDIJMKBPTGF-UHFFFAOYSA-N
XLogP-1.79
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
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-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
CID 103850553
2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
CID 106103199
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol (CID 106102940) is 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol is COCCNS(=O)(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol?
The InChIKey is NGQGDIJMKBPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-14-5-3-9-16(12,13)10-6-8(11)2-4-15-7-8/h9-11H,2-7H2,1H3.
What are the key properties of 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol?
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol has a molecular weight of 254.31 g/mol, XLogP of -1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106102940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).