2-(4-aminobutylsulfonylamino)ethylurea

C7H18N4O3S — CID 83115961

IUPAC2-(4-aminobutylsulfonylamino)ethylurea
SMILESNCCCCS(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C7H18N4O3S/c8-3-1-2-6-15(13,14)11-5-4-10-7(9)12/h11H,1-6,8H2,(H3,9,10,12)
InChIKeyIKVAZHAXMHYWIT-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.69
Rot. Bonds8

About 2-(4-aminobutylsulfonylamino)ethylurea

2-(4-aminobutylsulfonylamino)ethylurea (PubChem CID 83115961) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonylamino)ethylurea.

Molecular Properties

Compound Name2-(4-aminobutylsulfonylamino)ethylurea
PubChem CID83115961
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name2-(4-aminobutylsulfonylamino)ethylurea
SMILESNCCCCS(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C7H18N4O3S/c8-3-1-2-6-15(13,14)11-5-4-10-7(9)12/h11H,1-6,8H2,(H3,9,10,12)
InChIKeyIKVAZHAXMHYWIT-UHFFFAOYSA-N
XLogP-1.69
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-aminobutylsulfonylamino)ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethylsulfonylamino)ethylurea
CID 107652346
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-(decylsulfonylamino)ethylcarbamic acid
CID 90012721
2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
CID 83116775
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
CID 45260204
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonylamino)ethylurea?
The IUPAC name of 2-(4-aminobutylsulfonylamino)ethylurea (CID 83115961) is 2-(4-aminobutylsulfonylamino)ethylurea.
What is the SMILES notation for 2-(4-aminobutylsulfonylamino)ethylurea?
The canonical SMILES for 2-(4-aminobutylsulfonylamino)ethylurea is NCCCCS(=O)(=O)NCCNC(N)=O.
What is the InChIKey of 2-(4-aminobutylsulfonylamino)ethylurea?
The InChIKey is IKVAZHAXMHYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c8-3-1-2-6-15(13,14)11-5-4-10-7(9)12/h11H,1-6,8H2,(H3,9,10,12).
What are the key properties of 2-(4-aminobutylsulfonylamino)ethylurea?
2-(4-aminobutylsulfonylamino)ethylurea has a molecular weight of 238.31 g/mol, XLogP of -1.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonylamino)ethylurea is sourced from PubChem (CID 83115961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).