3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride

C9H16ClN3O3S — CID 46743491

IUPAC3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H15N3O3S.ClH/c1-7-9(8(2)15-11-7)16(13,14)12-5-3-10-4-6-12;/h10H,3-6H2,1-2H3;1H
InChIKeyWGFHCNAPSCMSCF-UHFFFAOYSA-N
MW281.76 g/mol
LogP0.31
Rot. Bonds2

About 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride

3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride (PubChem CID 46743491) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride
PubChem CID46743491
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.76 g/mol
Exact Mass281.06
IUPAC Name3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H15N3O3S.ClH/c1-7-9(8(2)15-11-7)16(13,14)12-5-3-10-4-6-12;/h10H,3-6H2,1-2H3;1H
InChIKeyWGFHCNAPSCMSCF-UHFFFAOYSA-N
XLogP0.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride (CID 46743491) is 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride?
The InChIKey is WGFHCNAPSCMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S.ClH/c1-7-9(8(2)15-11-7)16(13,14)12-5-3-10-4-6-12;/h10H,3-6H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride?
3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 46743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).