2-(2-amino-3-methylsulfonylanilino)ethylurea

C10H16N4O3S — CID 83117083

IUPAC2-(2-amino-3-methylsulfonylanilino)ethylurea
SMILESCS(=O)(=O)c1cccc(NCCNC(N)=O)c1N
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)8-4-2-3-7(9(8)11)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15)
InChIKeyHNMDOCAIKYHGRO-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.25
Rot. Bonds5

About 2-(2-amino-3-methylsulfonylanilino)ethylurea

2-(2-amino-3-methylsulfonylanilino)ethylurea (PubChem CID 83117083) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-amino-3-methylsulfonylanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-3-methylsulfonylanilino)ethylurea
PubChem CID83117083
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-(2-amino-3-methylsulfonylanilino)ethylurea
SMILESCS(=O)(=O)c1cccc(NCCNC(N)=O)c1N
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)8-4-2-3-7(9(8)11)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15)
InChIKeyHNMDOCAIKYHGRO-UHFFFAOYSA-N
XLogP-0.25
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
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-amino-3-ethoxyanilino)ethylurea
CID 113392780
3-(2-amino-3-methylsulfonylanilino)-3-methylbutanamide
CID 106095627
3-methylsulfonyl-1-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426460
1-N-[(1-methylcyclopropyl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 114099168
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-[(2-amino-3-methylsulfonylanilino)methyl]-2-ethylbutan-1-ol
CID 106251375
2-(2-cyanoanilino)ethylurea
CID 83111551
3-methylsulfonyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394075
3-methylsulfonyl-1-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 82002582
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylsulfonylanilino)ethylurea?
The IUPAC name of 2-(2-amino-3-methylsulfonylanilino)ethylurea (CID 83117083) is 2-(2-amino-3-methylsulfonylanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-3-methylsulfonylanilino)ethylurea?
The canonical SMILES for 2-(2-amino-3-methylsulfonylanilino)ethylurea is CS(=O)(=O)c1cccc(NCCNC(N)=O)c1N.
What is the InChIKey of 2-(2-amino-3-methylsulfonylanilino)ethylurea?
The InChIKey is HNMDOCAIKYHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)8-4-2-3-7(9(8)11)13-5-6-14-10(12)15/h2-4,13H,5-6,11H2,1H3,(H3,12,14,15).
What are the key properties of 2-(2-amino-3-methylsulfonylanilino)ethylurea?
2-(2-amino-3-methylsulfonylanilino)ethylurea has a molecular weight of 272.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylsulfonylanilino)ethylurea is sourced from PubChem (CID 83117083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).