2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide

C10H23N3O3S — CID 103108271

IUPAC2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C10H23N3O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8,11H2,1-3H3
InChIKeyYWZLKCAONJBRFR-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.49
Rot. Bonds8

About 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide

2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide (PubChem CID 103108271) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
PubChem CID103108271
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C10H23N3O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8,11H2,1-3H3
InChIKeyYWZLKCAONJBRFR-UHFFFAOYSA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.49
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

2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103113221
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylsulfonylamino)propanamide
CID 43573547
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
4-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]butanoic acid
CID 60825554
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide (CID 103108271) is 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)CCCCN.
What is the InChIKey of 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
The InChIKey is YWZLKCAONJBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-13(3)10(14)9(2)12-17(15,16)8-6-5-7-11/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide?
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide has a molecular weight of 265.38 g/mol, XLogP of -0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).