N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

C11H22N4O5S — CID 106341731

IUPACN-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C11H22N4O5S/c1-2-14-21(18,19)8-5-13-10(16)11(9(12)15-17)3-6-20-7-4-11/h14,17H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDZBWXJFBEMMATP-UHFFFAOYSA-N
MW322.39 g/mol
LogP-1.41
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (PubChem CID 106341731) has the molecular formula C11H22N4O5S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
PubChem CID106341731
Molecular FormulaC11H22N4O5S
Molecular Weight322.39 g/mol
Exact Mass322.13
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C11H22N4O5S/c1-2-14-21(18,19)8-5-13-10(16)11(9(12)15-17)3-6-20-7-4-11/h14,17H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDZBWXJFBEMMATP-UHFFFAOYSA-N
XLogP-1.41
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-sulfamoylethyl)oxane-4-carboxamide
CID 61830454
4-(aminomethyl)-N-(3-sulfamoylpropyl)oxane-4-carboxamide
CID 61885431
4-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)oxane-4-carboxamide
CID 76920087
4-(N'-hydroxycarbamimidoyl)-N-[2-(methanesulfonamido)ethyl]oxane-4-carboxamide
CID 76920203
4-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)oxane-4-carboxamide
CID 76920209
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)butanamide
CID 76920210
N-(1,1-dioxothiolan-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920245
N-(1,1-dioxothian-4-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920802
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)oxane-4-carboxamide
CID 76921120
4-(N'-hydroxycarbamimidoyl)-N-[3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 76927096
4-(N'-hydroxycarbamimidoyl)-N-[3-oxo-3-(propylamino)propyl]oxane-4-carboxamide
CID 76927685
4-(N'-hydroxycarbamimidoyl)-N-(3-sulfamoylpropyl)oxane-4-carboxamide
CID 76927884

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (CID 106341731) is N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is CCNS(=O)(=O)CCNC(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The InChIKey is DZBWXJFBEMMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5S/c1-2-14-21(18,19)8-5-13-10(16)11(9(12)15-17)3-6-20-7-4-11/h14,17H,2-8H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of -1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is sourced from PubChem (CID 106341731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).