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

C16H19Cl2N3O6S — CID 2482379

IUPAC[(2R)-1-(carbamoylamino)-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(=O)NC(N)=O
InChIInChI=1S/C16H19Cl2N3O6S/c1-9(14(22)20-16(19)24)27-15(23)10-5-7-21(8-6-10)28(25,26)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H3,19,20,22,24)/t9-/m1/s1
InChIKeyDSNGNRCZDBEGHP-SECBINFHSA-N
MW452.32 g/mol
LogP1.52
Rot. Bonds5

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

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 2482379) has the molecular formula C16H19Cl2N3O6S and a molecular weight of 452.32 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID2482379
Molecular FormulaC16H19Cl2N3O6S
Molecular Weight452.32 g/mol
Exact Mass451.04
IUPAC Name[(2R)-1-(carbamoylamino)-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(=O)NC(N)=O
InChIInChI=1S/C16H19Cl2N3O6S/c1-9(14(22)20-16(19)24)27-15(23)10-5-7-21(8-6-10)28(25,26)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H3,19,20,22,24)/t9-/m1/s1
InChIKeyDSNGNRCZDBEGHP-SECBINFHSA-N
XLogP1.52
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7898414
[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 42970333
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46811098
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 55421412
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46622331
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 29201327
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 8940223
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617609
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 46621333
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 2482379) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-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(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is DSNGNRCZDBEGHP-SECBINFHSA-N. The full InChI is InChI=1S/C16H19Cl2N3O6S/c1-9(14(22)20-16(19)24)27-15(23)10-5-7-21(8-6-10)28(25,26)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H3,19,20,22,24)/t9-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 452.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2482379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).