N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide

C15H24N4O3S — CID 51100868

IUPACN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-13-23(21,22)17-8-6-15(20)19-11-9-18(10-12-19)14-5-3-4-7-16-14/h3-5,7,17H,2,6,8-13H2,1H3
InChIKeyMRZDTLZUISHYFL-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.45
Rot. Bonds7

About N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide (PubChem CID 51100868) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
PubChem CID51100868
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3S/c1-2-13-23(21,22)17-8-6-15(20)19-11-9-18(10-12-19)14-5-3-4-7-16-14/h3-5,7,17H,2,6,8-13H2,1H3
InChIKeyMRZDTLZUISHYFL-UHFFFAOYSA-N
XLogP0.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120970715
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide (CID 51100868) is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is MRZDTLZUISHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-13-23(21,22)17-8-6-15(20)19-11-9-18(10-12-19)14-5-3-4-7-16-14/h3-5,7,17H,2,6,8-13H2,1H3.
What are the key properties of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide?
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 51100868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).