1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine

C15H24N2O2S — CID 82251755

IUPAC1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C15H24N2O2S/c1-12(2)15-9-16-13(3)10-17(15)20(18,19)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyGSWPSFVBSMIHBZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.83
Rot. Bonds4

About 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine

1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 82251755) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID82251755
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C15H24N2O2S/c1-12(2)15-9-16-13(3)10-17(15)20(18,19)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyGSWPSFVBSMIHBZ-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110662416
(3S)-4-benzylsulfonyl-3-methylpiperazine-1-carboxylic acid
CID 67131918
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673
1-benzylsulfonyl-3,5-dimethylpiperidine
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5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82246231
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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine (CID 82251755) is 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine is CC1CN(S(=O)(=O)Cc2ccccc2)C(C(C)C)CN1.
What is the InChIKey of 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is GSWPSFVBSMIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)15-9-16-13(3)10-17(15)20(18,19)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3.
What are the key properties of 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine?
1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 82251755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).