1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide

C12H22N4O3S — CID 43443220

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCCN2CCNCC2)no1
InChIInChI=1S/C12H22N4O3S/c1-11-9-12(15-19-11)10-20(17,18)14-3-2-6-16-7-4-13-5-8-16/h9,13-14H,2-8,10H2,1H3
InChIKeyYYPQGIJDGOWTQS-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.30
Rot. Bonds7

About 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 43443220) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID43443220
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCCN2CCNCC2)no1
InChIInChI=1S/C12H22N4O3S/c1-11-9-12(15-19-11)10-20(17,18)14-3-2-6-16-7-4-13-5-8-16/h9,13-14H,2-8,10H2,1H3
InChIKeyYYPQGIJDGOWTQS-UHFFFAOYSA-N
XLogP-0.30
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide (CID 43443220) is 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCCCN2CCNCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is YYPQGIJDGOWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-11-9-12(15-19-11)10-20(17,18)14-3-2-6-16-7-4-13-5-8-16/h9,13-14H,2-8,10H2,1H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 43443220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).