2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol

C8H20N2O4S — CID 114815733

IUPAC2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
SMILESCOCCNS(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C8H20N2O4S/c1-7(2)8(6-11)10-15(12,13)9-4-5-14-3/h7-11H,4-6H2,1-3H3
InChIKeyIAUCEZFBVWLJPQ-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.93
Rot. Bonds8

About 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol

2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol (PubChem CID 114815733) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
PubChem CID114815733
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
SMILESCOCCNS(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C8H20N2O4S/c1-7(2)8(6-11)10-15(12,13)9-4-5-14-3/h7-11H,4-6H2,1-3H3
InChIKeyIAUCEZFBVWLJPQ-UHFFFAOYSA-N
XLogP-0.93
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
CID 103736172
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol (CID 114815733) is 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol is COCCNS(=O)(=O)NC(CO)C(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol?
The InChIKey is IAUCEZFBVWLJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-7(2)8(6-11)10-15(12,13)9-4-5-14-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol?
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol has a molecular weight of 240.32 g/mol, XLogP of -0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 114815733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).