methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate

C17H24N2O5S — CID 175949061

IUPACmethyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C
InChIInChI=1S/C17H24N2O5S/c1-12(2)16(20)19-13(3)10-18(11-15(19)17(21)24-4)25(22,23)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyZDKSWEBARSAGBJ-UKRRQHHQSA-N
MW368.46 g/mol
LogP1.11
Rot. Bonds4

About methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate

methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate (PubChem CID 175949061) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
PubChem CID175949061
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Namemethyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C
InChIInChI=1S/C17H24N2O5S/c1-12(2)16(20)19-13(3)10-18(11-15(19)17(21)24-4)25(22,23)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyZDKSWEBARSAGBJ-UKRRQHHQSA-N
XLogP1.11
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)-N-(naphthalen-2-ylmethyl)piperazine-2-carboxamide
CID 170345885
methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
CID 171625870
methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161589
4-(benzenesulfonyl)-N-[[3,5-difluoro-4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 170345893
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 175656886
methyl (2S,3aS,7aR)-1-(benzenesulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124794051
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
CID 59279112
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
methyl (3R)-2-(benzenesulfonyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 101406468

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate (CID 175949061) is methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C.
What is the InChIKey of methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The InChIKey is ZDKSWEBARSAGBJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12(2)16(20)19-13(3)10-18(11-15(19)17(21)24-4)25(22,23)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 175949061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).