N-(2-methoxyethylsulfamoyl)propan-1-amine

C6H16N2O3S — CID 89018977

IUPACN-(2-methoxyethylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCCOC
InChIInChI=1S/C6H16N2O3S/c1-3-4-7-12(9,10)8-5-6-11-2/h7-8H,3-6H2,1-2H3
InChIKeyDZSAYDAHXVXTHI-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.53
Rot. Bonds7

About N-(2-methoxyethylsulfamoyl)propan-1-amine

N-(2-methoxyethylsulfamoyl)propan-1-amine (PubChem CID 89018977) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)propan-1-amine
PubChem CID89018977
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC NameN-(2-methoxyethylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCCOC
InChIInChI=1S/C6H16N2O3S/c1-3-4-7-12(9,10)8-5-6-11-2/h7-8H,3-6H2,1-2H3
InChIKeyDZSAYDAHXVXTHI-UHFFFAOYSA-N
XLogP-0.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(2-methoxyethylsulfamoyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)propan-1-amine (CID 89018977) is N-(2-methoxyethylsulfamoyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)propan-1-amine is CCCNS(=O)(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)propan-1-amine?
The InChIKey is DZSAYDAHXVXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-3-4-7-12(9,10)8-5-6-11-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)propan-1-amine?
N-(2-methoxyethylsulfamoyl)propan-1-amine has a molecular weight of 196.27 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)propan-1-amine is sourced from PubChem (CID 89018977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).