(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine

C8H18N2O2S — CID 134383274

IUPAC(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine
SMILESCCN1CCN(S(C)(=O)=O)[C@H](C)C1
InChIInChI=1S/C8H18N2O2S/c1-4-9-5-6-10(8(2)7-9)13(3,11)12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyJRMIWOOQLWOSMQ-MRVPVSSYSA-N
MW206.31 g/mol
LogP-0.03
Rot. Bonds2

About (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine

(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine (PubChem CID 134383274) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine
PubChem CID134383274
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine
SMILESCCN1CCN(S(C)(=O)=O)[C@H](C)C1
InChIInChI=1S/C8H18N2O2S/c1-4-9-5-6-10(8(2)7-9)13(3,11)12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyJRMIWOOQLWOSMQ-MRVPVSSYSA-N
XLogP-0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-methylsulfonyl-4-propylpiperazine
CID 70967774
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703859
4-[(3-iodophenyl)methyl]-2-methyl-1-methylsulfonylpiperazine
CID 169409840
(2R)-4-ethyl-1-hydroxy-2-methylpiperazine
CID 89081113
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
1-(1-benzofuran-7-ylsulfonyl)-4-ethyl-2-methylpiperazine
CID 128579357
(2R,3R)-2-amino-3-methyl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pentan-1-one
CID 124683706
(2-ethylphenyl)-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methanone
CID 84596796
1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane
CID 161188092
(2R)-2-amino-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 120874133
(2S)-2-amino-3-methyl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]butan-1-one
CID 154752127

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine?
The IUPAC name of (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine (CID 134383274) is (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine.
What is the SMILES notation for (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine?
The canonical SMILES for (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine is CCN1CCN(S(C)(=O)=O)[C@H](C)C1.
What is the InChIKey of (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine?
The InChIKey is JRMIWOOQLWOSMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-9-5-6-10(8(2)7-9)13(3,11)12/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine?
(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine has a molecular weight of 206.31 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 134383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).