4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane

C9H22N2O4S — CID 103875892

IUPAC4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane
SMILESCCN(CC)S(=O)(=O)NCCC(O)COC
InChIInChI=1S/C9H22N2O4S/c1-4-11(5-2)16(13,14)10-7-6-9(12)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAOMADOUWCDZADQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP-0.44
Rot. Bonds9

About 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane

4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane (PubChem CID 103875892) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane.

Molecular Properties

Compound Name4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane
PubChem CID103875892
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC Name4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane
SMILESCCN(CC)S(=O)(=O)NCCC(O)COC
InChIInChI=1S/C9H22N2O4S/c1-4-11(5-2)16(13,14)10-7-6-9(12)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAOMADOUWCDZADQ-UHFFFAOYSA-N
XLogP-0.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The IUPAC name of 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane (CID 103875892) is 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane.
What is the SMILES notation for 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The canonical SMILES for 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane is CCN(CC)S(=O)(=O)NCCC(O)COC.
What is the InChIKey of 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The InChIKey is AOMADOUWCDZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S/c1-4-11(5-2)16(13,14)10-7-6-9(12)8-15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane has a molecular weight of 254.35 g/mol, XLogP of -0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoylamino)-2-hydroxy-1-methoxybutane is sourced from PubChem (CID 103875892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).