(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine

C11H24N2O2S — CID 94989971

IUPAC(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
SMILESCC(C)[C@H]1CN[C@@H](C(C)C)CN1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-8(2)10-7-13(16(5,14)15)11(6-12-10)9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyNIUIVTKBVVFISU-GHMZBOCLSA-N
MW248.39 g/mol
LogP0.90
Rot. Bonds3

About (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine

(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine (PubChem CID 94989971) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
PubChem CID94989971
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
SMILESCC(C)[C@H]1CN[C@@H](C(C)C)CN1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-8(2)10-7-13(16(5,14)15)11(6-12-10)9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyNIUIVTKBVVFISU-GHMZBOCLSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20113226
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CID 19815142
(2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride
CID 66617740
N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 17788376
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
CID 50954696
N-[[4-(2-fluoroethyl)-1-(3-methylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 87729038
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357711
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63879476
1-(Difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide
CID 120722748
N-(2-(Piperidin-4-yl)ethyl)methanesulfonamide
CID 4090534

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine?
The IUPAC name of (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine (CID 94989971) is (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine is CC(C)[C@H]1CN[C@@H](C(C)C)CN1S(C)(=O)=O.
What is the InChIKey of (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine?
The InChIKey is NIUIVTKBVVFISU-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)10-7-13(16(5,14)15)11(6-12-10)9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine?
(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 94989971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).