[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C15H18Cl2N2O5S — CID 7898414

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(N)=O
InChIInChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-5-7-19(8-6-10)25(22,23)13-11(16)3-2-4-12(13)17/h2-4,9-10H,5-8H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyZGHALEOLYFUIBC-SECBINFHSA-N
MW409.29 g/mol
LogP1.81
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 7898414) has the molecular formula C15H18Cl2N2O5S and a molecular weight of 409.29 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID7898414
Molecular FormulaC15H18Cl2N2O5S
Molecular Weight409.29 g/mol
Exact Mass408.03
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(N)=O
InChIInChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-5-7-19(8-6-10)25(22,23)13-11(16)3-2-4-12(13)17/h2-4,9-10H,5-8H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyZGHALEOLYFUIBC-SECBINFHSA-N
XLogP1.81
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2482379
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46622331
[(1R)-1-cyanoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739720
(2-oxooxolan-3-yl) 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24979855
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46811098
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 4841395
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 7898414) is [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is ZGHALEOLYFUIBC-SECBINFHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-5-7-19(8-6-10)25(22,23)13-11(16)3-2-4-12(13)17/h2-4,9-10H,5-8H2,1H3,(H2,18,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 409.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7898414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).