2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide

C7H16N4O4S — CID 106177020

IUPAC2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H16N4O4S/c8-7(13)6(12)5-10-16(14,15)11-3-1-9-2-4-11/h6,9-10,12H,1-5H2,(H2,8,13)
InChIKeyAAVJQJNINIDNPT-UHFFFAOYSA-N
MW252.30 g/mol
LogP-3.43
Rot. Bonds5

About 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide

2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide (PubChem CID 106177020) has the molecular formula C7H16N4O4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide
PubChem CID106177020
Molecular FormulaC7H16N4O4S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H16N4O4S/c8-7(13)6(12)5-10-16(14,15)11-3-1-9-2-4-11/h6,9-10,12H,1-5H2,(H2,8,13)
InChIKeyAAVJQJNINIDNPT-UHFFFAOYSA-N
XLogP-3.43
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-3.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanamide
CID 106169265
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
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3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
methyl 2-(piperazin-1-ylsulfonylamino)propanoate
CID 22615502
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
CID 106148888
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
CID 61252712
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide (CID 106177020) is 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide is NC(=O)C(O)CNS(=O)(=O)N1CCNCC1.
What is the InChIKey of 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide?
The InChIKey is AAVJQJNINIDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O4S/c8-7(13)6(12)5-10-16(14,15)11-3-1-9-2-4-11/h6,9-10,12H,1-5H2,(H2,8,13).
What are the key properties of 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide?
2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide has a molecular weight of 252.30 g/mol, XLogP of -3.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide is sourced from PubChem (CID 106177020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).