acetamido(acetyl)sulfamic acid;N,N-diethylethanamine

C10H23N3O5S — CID 175118779

IUPACacetamido(acetyl)sulfamic acid;N,N-diethylethanamine
SMILESCC(=O)NN(C(C)=O)S(=O)(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C4H8N2O5S/c1-4-7(5-2)6-3;1-3(7)5-6(4(2)8)12(9,10)11/h4-6H2,1-3H3;1-2H3,(H,5,7)(H,9,10,11)
InChIKeyFDUAJORYSKQKOW-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.04
Rot. Bonds4

About acetamido(acetyl)sulfamic acid;N,N-diethylethanamine

acetamido(acetyl)sulfamic acid;N,N-diethylethanamine (PubChem CID 175118779) has the molecular formula C10H23N3O5S and a molecular weight of 297.38 g/mol. Its IUPAC name is acetamido(acetyl)sulfamic acid;N,N-diethylethanamine.

Molecular Properties

Compound Nameacetamido(acetyl)sulfamic acid;N,N-diethylethanamine
PubChem CID175118779
Molecular FormulaC10H23N3O5S
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Nameacetamido(acetyl)sulfamic acid;N,N-diethylethanamine
SMILESCC(=O)NN(C(C)=O)S(=O)(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C4H8N2O5S/c1-4-7(5-2)6-3;1-3(7)5-6(4(2)8)12(9,10)11/h4-6H2,1-3H3;1-2H3,(H,5,7)(H,9,10,11)
InChIKeyFDUAJORYSKQKOW-UHFFFAOYSA-N
XLogP0.04
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
N,N-diethylethanamine;N-methylacetamide
CID 19745535
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
nonadecakis(N,N-diethylethanamine);tetrakis(3-oxobutanoylsulfamic acid)
CID 173419064
sodium;N,N-diethylethanamine;hydride;sulfuric acid
CID 175161675
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
1-(diethylamino)propan-2-one;sulfuric acid
CID 87420843
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate
CID 167111786
N,N-diethylethanamine;methanol;acetate
CID 19101833
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420

Frequently Asked Questions

What is the IUPAC name of acetamido(acetyl)sulfamic acid;N,N-diethylethanamine?
The IUPAC name of acetamido(acetyl)sulfamic acid;N,N-diethylethanamine (CID 175118779) is acetamido(acetyl)sulfamic acid;N,N-diethylethanamine.
What is the SMILES notation for acetamido(acetyl)sulfamic acid;N,N-diethylethanamine?
The canonical SMILES for acetamido(acetyl)sulfamic acid;N,N-diethylethanamine is CC(=O)NN(C(C)=O)S(=O)(=O)O.CCN(CC)CC.
What is the InChIKey of acetamido(acetyl)sulfamic acid;N,N-diethylethanamine?
The InChIKey is FDUAJORYSKQKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8N2O5S/c1-4-7(5-2)6-3;1-3(7)5-6(4(2)8)12(9,10)11/h4-6H2,1-3H3;1-2H3,(H,5,7)(H,9,10,11).
What are the key properties of acetamido(acetyl)sulfamic acid;N,N-diethylethanamine?
acetamido(acetyl)sulfamic acid;N,N-diethylethanamine has a molecular weight of 297.38 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido(acetyl)sulfamic acid;N,N-diethylethanamine is sourced from PubChem (CID 175118779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).