2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide

C11H24N4O3S — CID 80549830

IUPAC2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCS(N)(=O)=O)N1CCNCC1
InChIInChI=1S/C11H24N4O3S/c1-11(2,15-7-5-13-6-8-15)10(16)14-4-3-9-19(12,17)18/h13H,3-9H2,1-2H3,(H,14,16)(H2,12,17,18)
InChIKeyFOYLMQWJEHIFTK-UHFFFAOYSA-N
MW292.41 g/mol
LogP-1.53
Rot. Bonds6

About 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide

2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide (PubChem CID 80549830) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
PubChem CID80549830
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC Name2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCS(N)(=O)=O)N1CCNCC1
InChIInChI=1S/C11H24N4O3S/c1-11(2,15-7-5-13-6-8-15)10(16)14-4-3-9-19(12,17)18/h13H,3-9H2,1-2H3,(H,14,16)(H2,12,17,18)
InChIKeyFOYLMQWJEHIFTK-UHFFFAOYSA-N
XLogP-1.53
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide (CID 80549830) is 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide is CC(C)(C(=O)NCCCS(N)(=O)=O)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide?
The InChIKey is FOYLMQWJEHIFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-11(2,15-7-5-13-6-8-15)10(16)14-4-3-9-19(12,17)18/h13H,3-9H2,1-2H3,(H,14,16)(H2,12,17,18).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide has a molecular weight of 292.41 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide is sourced from PubChem (CID 80549830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).