N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide

C9H21N3O3S — CID 119409036

IUPACN-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)CC(=O)NCCCN
InChIInChI=1S/C9H21N3O3S/c1-3-12(4-2)16(14,15)8-9(13)11-7-5-6-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyGOZJMEJCWALXJU-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.88
Rot. Bonds8

About N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide

N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide (PubChem CID 119409036) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
PubChem CID119409036
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)CC(=O)NCCCN
InChIInChI=1S/C9H21N3O3S/c1-3-12(4-2)16(14,15)8-9(13)11-7-5-6-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyGOZJMEJCWALXJU-UHFFFAOYSA-N
XLogP-0.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)propanamide
CID 21290277
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
2-(diethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119538205
2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 54986338
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide (CID 119409036) is N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide is CCN(CC)S(=O)(=O)CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide?
The InChIKey is GOZJMEJCWALXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-3-12(4-2)16(14,15)8-9(13)11-7-5-6-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide?
N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide has a molecular weight of 251.35 g/mol, XLogP of -0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide is sourced from PubChem (CID 119409036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).