(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine

C16H26N2O2S — CID 130304947

IUPAC(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CCN(C)[C@H](C(C)C)C2)cc1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-12(2)15-11-18(9-8-17(15)4)14-7-6-13(3)16(10-14)21(5,19)20/h6-7,10,12,15H,8-9,11H2,1-5H3/t15-/m0/s1
InChIKeyYWHWHGGFIXHVMR-HNNXBMFYSA-N
MW310.46 g/mol
LogP2.17
Rot. Bonds3

About (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine

(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine (PubChem CID 130304947) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
PubChem CID130304947
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CCN(C)[C@H](C(C)C)C2)cc1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-12(2)15-11-18(9-8-17(15)4)14-7-6-13(3)16(10-14)21(5,19)20/h6-7,10,12,15H,8-9,11H2,1-5H3/t15-/m0/s1
InChIKeyYWHWHGGFIXHVMR-HNNXBMFYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine (CID 130304947) is (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine is Cc1ccc(N2CCN(C)[C@H](C(C)C)C2)cc1S(C)(=O)=O.
What is the InChIKey of (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine?
The InChIKey is YWHWHGGFIXHVMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)15-11-18(9-8-17(15)4)14-7-6-13(3)16(10-14)21(5,19)20/h6-7,10,12,15H,8-9,11H2,1-5H3/t15-/m0/s1.
What are the key properties of (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine?
(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine has a molecular weight of 310.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 130304947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).