2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate

C12H17N3O4S — CID 83204510

IUPAC2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
SMILESNC(=O)OCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H17N3O4S/c13-12(16)19-8-7-14-10-3-1-2-4-11(10)20(17,18)15-9-5-6-9/h1-4,9,14-15H,5-8H2,(H2,13,16)
InChIKeyAVIVGJAYOOOIOI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.63
Rot. Bonds7

About 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate

2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate (PubChem CID 83204510) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
PubChem CID83204510
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
SMILESNC(=O)OCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H17N3O4S/c13-12(16)19-8-7-14-10-3-1-2-4-11(10)20(17,18)15-9-5-6-9/h1-4,9,14-15H,5-8H2,(H2,13,16)
InChIKeyAVIVGJAYOOOIOI-UHFFFAOYSA-N
XLogP0.63
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
CID 106244439
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate?
The IUPAC name of 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate (CID 83204510) is 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate.
What is the SMILES notation for 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate?
The canonical SMILES for 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate is NC(=O)OCCNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate?
The InChIKey is AVIVGJAYOOOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-12(16)19-8-7-14-10-3-1-2-4-11(10)20(17,18)15-9-5-6-9/h1-4,9,14-15H,5-8H2,(H2,13,16).
What are the key properties of 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate?
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate has a molecular weight of 299.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate is sourced from PubChem (CID 83204510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).