N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide

C8H19N3O3S — CID 106336906

IUPACN-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H19N3O3S/c1-3-4-10-7-8(12)11-5-6-15(13,14)9-2/h9-10H,3-7H2,1-2H3,(H,11,12)
InChIKeyIOCMEAZSXHUHKI-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.35
Rot. Bonds8

About N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide

N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide (PubChem CID 106336906) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
PubChem CID106336906
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H19N3O3S/c1-3-4-10-7-8(12)11-5-6-15(13,14)9-2/h9-10H,3-7H2,1-2H3,(H,11,12)
InChIKeyIOCMEAZSXHUHKI-UHFFFAOYSA-N
XLogP-1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.35
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

2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
N-methyl-2-(propylamino)acetamide
CID 28586328
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 110292916
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
CID 23394473
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide (CID 106336906) is N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide is CCCNCC(=O)NCCS(=O)(=O)NC.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide?
The InChIKey is IOCMEAZSXHUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-3-4-10-7-8(12)11-5-6-15(13,14)9-2/h9-10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide?
N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide has a molecular weight of 237.32 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 106336906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).