1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane

C9H23N3O3S — CID 83039592

IUPAC1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
SMILESCCN(CC)S(=O)(=O)NCCNCCOC
InChIInChI=1S/C9H23N3O3S/c1-4-12(5-2)16(13,14)11-7-6-10-8-9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyKRMWQGWLYGRHNH-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.60
Rot. Bonds10

About 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane

1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane (PubChem CID 83039592) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
PubChem CID83039592
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
SMILESCCN(CC)S(=O)(=O)NCCNCCOC
InChIInChI=1S/C9H23N3O3S/c1-4-12(5-2)16(13,14)11-7-6-10-8-9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyKRMWQGWLYGRHNH-UHFFFAOYSA-N
XLogP-0.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The IUPAC name of 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane (CID 83039592) is 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The canonical SMILES for 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane is CCN(CC)S(=O)(=O)NCCNCCOC.
What is the InChIKey of 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The InChIKey is KRMWQGWLYGRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-4-12(5-2)16(13,14)11-7-6-10-8-9-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane has a molecular weight of 253.37 g/mol, XLogP of -0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-2-(2-methoxyethylamino)ethane is sourced from PubChem (CID 83039592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).