1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine

C14H22N2O2S — CID 787171

IUPAC1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)15-8-10-16(11-9-15)19(17,18)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyYOABTTWLSJWLMM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine

1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 787171) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID787171
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)15-8-10-16(11-9-15)19(17,18)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyYOABTTWLSJWLMM-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine (CID 787171) is 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is YOABTTWLSJWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)15-8-10-16(11-9-15)19(17,18)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine?
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 787171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).