1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine

C12H25N3O2S — CID 95155157

IUPAC1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C12H25N3O2S/c1-3-13-8-10-14(11-9-13)18(16,17)15-7-5-4-6-12(15)2/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyDSDJGBJYNDSJJP-LBPRGKRZSA-N
MW275.42 g/mol
LogP0.74
Rot. Bonds3

About 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine

1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine (PubChem CID 95155157) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine
PubChem CID95155157
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C12H25N3O2S/c1-3-13-8-10-14(11-9-13)18(16,17)15-7-5-4-6-12(15)2/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyDSDJGBJYNDSJJP-LBPRGKRZSA-N
XLogP0.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine (CID 95155157) is 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine is CCN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine?
The InChIKey is DSDJGBJYNDSJJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-3-13-8-10-14(11-9-13)18(16,17)15-7-5-4-6-12(15)2/h12H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine?
1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine has a molecular weight of 275.42 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 95155157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).