tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate

C12H24N2O4S — CID 174602342

IUPACtert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate
SMILESCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-6-10-9-13(11(15)18-12(2,3)4)7-8-14(10)19(5,16)17/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyFNJQDLTUHISJMF-SNVBAGLBSA-N
MW292.40 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate

tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate (PubChem CID 174602342) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate
PubChem CID174602342
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate
SMILESCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-6-10-9-13(11(15)18-12(2,3)4)7-8-14(10)19(5,16)17/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyFNJQDLTUHISJMF-SNVBAGLBSA-N
XLogP1.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methylsulfonyl-3-(trifluoromethyl)piperazine-1-carboxylate
CID 154026528
tert-butyl (3S)-4-methylsulfonyl-3-(trifluoromethyl)piperazine-1-carboxylate
CID 135241184
tert-butyl 4-methyl-3-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 137498981
tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
CID 170288316
tert-butyl (3S)-4-carbonochloridoyl-3-ethylpiperazine-1-carboxylate
CID 87713865
tert-butyl 3-ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 154652517
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
ditert-butyl 2-[[2-methylpropyl(methylsulfonyl)amino]methyl]piperazine-1,4-dicarboxylate
CID 77148405
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate (CID 174602342) is tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate is CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(C)(=O)=O.
What is the InChIKey of tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate?
The InChIKey is FNJQDLTUHISJMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-6-10-9-13(11(15)18-12(2,3)4)7-8-14(10)19(5,16)17/h10H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate?
tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 174602342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).