N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide

C11H24N4O3S — CID 47147108

IUPACN-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-9(2)13-11(16)10(3)14-5-7-15(8-6-14)19(12,17)18/h9-10H,4-8H2,1-3H3,(H,13,16)(H2,12,17,18)
InChIKeyOEDSXWZPVGVPQP-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.89
Rot. Bonds5

About N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide

N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide (PubChem CID 47147108) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
PubChem CID47147108
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-9(2)13-11(16)10(3)14-5-7-15(8-6-14)19(12,17)18/h9-10H,4-8H2,1-3H3,(H,13,16)(H2,12,17,18)
InChIKeyOEDSXWZPVGVPQP-UHFFFAOYSA-N
XLogP-0.89
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777
1,3-Diethylpiperazin-2-one
CID 63601219
2-[4-(diethylsulfamoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 34124244
2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 42955123
2-(diethylsulfamoylamino)-N,N-dimethylpropanamide
CID 51080483
2-(dipropylsulfamoylamino)-N,N-dimethylpropanamide
CID 71941668
N-isopropyl-2-(piperazin-1-yl)propanamide
CID 13454833
N-cyclopropyl-2-(piperazin-1-yl)propanamide
CID 16227404
N-(butan-2-yl)-2-(piperazin-1-yl)acetamide
CID 13289375
1,3,5,6-Tetramethylpiperazin-2-one
CID 122163249
N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide
CID 53503799
1,3-Dimethyl-2,5-diketopiperazine
CID 23278159

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide (CID 47147108) is N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide is CCC(C)NC(=O)C(C)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The InChIKey is OEDSXWZPVGVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-4-9(2)13-11(16)10(3)14-5-7-15(8-6-14)19(12,17)18/h9-10H,4-8H2,1-3H3,(H,13,16)(H2,12,17,18).
What are the key properties of N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide is sourced from PubChem (CID 47147108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).