(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine

C9H20N2O2S — CID 118670818

IUPAC(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(C)(=O)=O)C[C@H]1C
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyUUFUTNKTYMSWOY-SECBINFHSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine

(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine (PubChem CID 118670818) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine
PubChem CID118670818
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(C)(=O)=O)C[C@H]1C
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyUUFUTNKTYMSWOY-SECBINFHSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
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ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
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(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
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3-methyl-1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]butan-2-one
CID 177118848
1-methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
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(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
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(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
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1-methylsulfonylpyrrolidin-3-ol
CID 20745843

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine (CID 118670818) is (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine is CC(C)N1CCN(S(C)(=O)=O)C[C@H]1C.
What is the InChIKey of (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine?
The InChIKey is UUFUTNKTYMSWOY-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine?
(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 118670818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).