N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide

C11H17N3O3S — CID 62544328

IUPACN-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-17-7-6-13-11(14-12)9-4-3-5-10(8-9)18(2,15)16/h3-5,8H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyRDRSSQIUDRYYBX-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.05
Rot. Bonds5

About N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide

N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide (PubChem CID 62544328) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide
PubChem CID62544328
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-17-7-6-13-11(14-12)9-4-3-5-10(8-9)18(2,15)16/h3-5,8H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyRDRSSQIUDRYYBX-UHFFFAOYSA-N
XLogP-0.05
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-cyclopropyl-3-methylsulfonylbenzenecarboximidamide
CID 61362713
methyl 3-methylsulfonylbenzoate
CID 6432252
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
(3-methylsulfonylbenzoyl)azanium
CID 163693398

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide (CID 62544328) is N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide is COCC/N=C(\NN)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide?
The InChIKey is RDRSSQIUDRYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-17-7-6-13-11(14-12)9-4-3-5-10(8-9)18(2,15)16/h3-5,8H,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide?
N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide has a molecular weight of 271.34 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 62544328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).