(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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Related Compounds

2-[4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-4-methyl-5-(trifluoromethyl)pyrimidine
CID 118872013
2-[2-[(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-5-methylpyrimidin-4-yl]propan-2-ol
CID 130305010
1-[2-[(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 130304960
2-[(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-4-methyl-5-prop-1-en-2-ylpyrimidine
CID 130304962
(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-1-(2-methoxy-4-pyridinyl)-2-propan-2-ylpiperazine
CID 118872032
2-[(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxylic acid
CID 139556934
methyl 4-[(3R)-4-(5-acetyl-4-methylpyrimidin-2-yl)-3-propan-2-ylpiperazin-1-yl]-2-methylsulfonylbenzoate
CID 130304972
2-[(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-5-(1-methoxyethyl)pyrimidine
CID 130305015
2-[4-(4-fluoro-3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]pyrimidine-4-carboxamide
CID 139556893
(2S)-1-methyl-2-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 166092940
(2S)-1-[(1,6-dimethylpiperidin-3-yl)methyl]-4-(3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
CID 130305032
[2-methylsulfonyl-4-[3-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]phenyl]methanol
CID 130308297

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).