1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide

C15H23N3O3S — CID 146722839

IUPAC1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide
SMILESCc1ccc(N2CCNCC2)c(CS(=O)(=O)NC2COC2)c1
InChIInChI=1S/C15H23N3O3S/c1-12-2-3-15(18-6-4-16-5-7-18)13(8-12)11-22(19,20)17-14-9-21-10-14/h2-3,8,14,16-17H,4-7,9-11H2,1H3
InChIKeyRFHZQXJDXNFGOR-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.22
Rot. Bonds5

About 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide

1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide (PubChem CID 146722839) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide
PubChem CID146722839
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide
SMILESCc1ccc(N2CCNCC2)c(CS(=O)(=O)NC2COC2)c1
InChIInChI=1S/C15H23N3O3S/c1-12-2-3-15(18-6-4-16-5-7-18)13(8-12)11-22(19,20)17-14-9-21-10-14/h2-3,8,14,16-17H,4-7,9-11H2,1H3
InChIKeyRFHZQXJDXNFGOR-UHFFFAOYSA-N
XLogP0.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 155201518
5-methyl-2-piperazin-1-ylaniline
CID 62137468
calcium;hydride;5-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 173090379
4-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 86209737
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
N-[(5-methyl-2-piperidin-4-ylphenyl)methylsulfanyl]oxetan-3-amine
CID 155709371
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
1-(2-ethyl-4-methylphenyl)-4-methylpiperazine
CID 70652133
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-(4-ethyl-2,3-dimethylphenyl)piperazine
CID 138531661
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide?
The IUPAC name of 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide (CID 146722839) is 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide?
The canonical SMILES for 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide is Cc1ccc(N2CCNCC2)c(CS(=O)(=O)NC2COC2)c1.
What is the InChIKey of 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide?
The InChIKey is RFHZQXJDXNFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-2-3-15(18-6-4-16-5-7-18)13(8-12)11-22(19,20)17-14-9-21-10-14/h2-3,8,14,16-17H,4-7,9-11H2,1H3.
What are the key properties of 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide?
1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-piperazin-1-ylphenyl)-N-(oxetan-3-yl)methanesulfonamide is sourced from PubChem (CID 146722839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).