4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide

C9H19N3O3S — CID 79394622

IUPAC4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
SMILESNCCS(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C9H19N3O3S/c10-5-7-16(14,15)11-6-1-2-9(13)12-8-3-4-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyFOWOMOMNLJWWPU-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.08
Rot. Bonds8

About 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide

4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide (PubChem CID 79394622) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
PubChem CID79394622
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
SMILESNCCS(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C9H19N3O3S/c10-5-7-16(14,15)11-6-1-2-9(13)12-8-3-4-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyFOWOMOMNLJWWPU-UHFFFAOYSA-N
XLogP-1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
CID 79394848
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
CID 79381999
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N,N'-dicyclopropyldecanediamide
CID 4668836
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
N,N'-dicyclopropylbutanediamide
CID 5225156
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide (CID 79394622) is 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide is NCCS(=O)(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide?
The InChIKey is FOWOMOMNLJWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-5-7-16(14,15)11-6-1-2-9(13)12-8-3-4-8/h8,11H,1-7,10H2,(H,12,13).
What are the key properties of 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide?
4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide has a molecular weight of 249.34 g/mol, XLogP of -1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide is sourced from PubChem (CID 79394622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).