2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen

C10H27N3O6S — CID 145350543

IUPAC2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen
SMILESCC(=O)OCCOCCNS(=O)(=O)NC(=O)CCCN.[H][H].[H][H].[H][H]
InChIInChI=1S/C10H21N3O6S.3H2/c1-9(14)19-8-7-18-6-5-12-20(16,17)13-10(15)3-2-4-11;;;/h12H,2-8,11H2,1H3,(H,13,15);3*1H
InChIKeyRPKVXOOBWVLYTK-UHFFFAOYSA-N
MW317.41 g/mol
LogP-1.01
Rot. Bonds11

About 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen

2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen (PubChem CID 145350543) has the molecular formula C10H27N3O6S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen.

Molecular Properties

Compound Name2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen
PubChem CID145350543
Molecular FormulaC10H27N3O6S
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen
SMILESCC(=O)OCCOCCNS(=O)(=O)NC(=O)CCCN.[H][H].[H][H].[H][H]
InChIInChI=1S/C10H21N3O6S.3H2/c1-9(14)19-8-7-18-6-5-12-20(16,17)13-10(15)3-2-4-11;;;/h12H,2-8,11H2,1H3,(H,13,15);3*1H
InChIKeyRPKVXOOBWVLYTK-UHFFFAOYSA-N
XLogP-1.01
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen?
The IUPAC name of 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen (CID 145350543) is 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen.
What is the SMILES notation for 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen?
The canonical SMILES for 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen is CC(=O)OCCOCCNS(=O)(=O)NC(=O)CCCN.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen?
The InChIKey is RPKVXOOBWVLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S.3H2/c1-9(14)19-8-7-18-6-5-12-20(16,17)13-10(15)3-2-4-11;;;/h12H,2-8,11H2,1H3,(H,13,15);3*1H.
What are the key properties of 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen?
2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen has a molecular weight of 317.41 g/mol, XLogP of -1.01, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen is sourced from PubChem (CID 145350543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).