2-(3-amino-5-sulfamoylanilino)ethylurea

C9H15N5O3S — CID 83115831

IUPAC2-(3-amino-5-sulfamoylanilino)ethylurea
SMILESNC(=O)NCCNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N5O3S/c10-6-3-7(13-1-2-14-9(11)15)5-8(4-6)18(12,16)17/h3-5,13H,1-2,10H2,(H3,11,14,15)(H2,12,16,17)
InChIKeyDPKRJFLJLUZMRQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.00
Rot. Bonds5

About 2-(3-amino-5-sulfamoylanilino)ethylurea

2-(3-amino-5-sulfamoylanilino)ethylurea (PubChem CID 83115831) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(3-amino-5-sulfamoylanilino)ethylurea.

Molecular Properties

Compound Name2-(3-amino-5-sulfamoylanilino)ethylurea
PubChem CID83115831
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name2-(3-amino-5-sulfamoylanilino)ethylurea
SMILESNC(=O)NCCNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N5O3S/c10-6-3-7(13-1-2-14-9(11)15)5-8(4-6)18(12,16)17/h3-5,13H,1-2,10H2,(H3,11,14,15)(H2,12,16,17)
InChIKeyDPKRJFLJLUZMRQ-UHFFFAOYSA-N
XLogP-1.00
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-5-sulfamoylanilino)ethoxy]acetamide
CID 106234438
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
CID 113491915
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 106037433
3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
CID 60986703
3-amino-5-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66178938
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004382
3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide
CID 63243254
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-sulfamoylanilino)ethylurea?
The IUPAC name of 2-(3-amino-5-sulfamoylanilino)ethylurea (CID 83115831) is 2-(3-amino-5-sulfamoylanilino)ethylurea.
What is the SMILES notation for 2-(3-amino-5-sulfamoylanilino)ethylurea?
The canonical SMILES for 2-(3-amino-5-sulfamoylanilino)ethylurea is NC(=O)NCCNc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-amino-5-sulfamoylanilino)ethylurea?
The InChIKey is DPKRJFLJLUZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c10-6-3-7(13-1-2-14-9(11)15)5-8(4-6)18(12,16)17/h3-5,13H,1-2,10H2,(H3,11,14,15)(H2,12,16,17).
What are the key properties of 2-(3-amino-5-sulfamoylanilino)ethylurea?
2-(3-amino-5-sulfamoylanilino)ethylurea has a molecular weight of 273.32 g/mol, XLogP of -1.00, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-sulfamoylanilino)ethylurea is sourced from PubChem (CID 83115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).