[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C15H18Cl2N2O5S — CID 7953770

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(N)=O
InChIInChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-4-6-19(7-5-10)25(22,23)13-8-11(16)2-3-12(13)17/h2-3,8-10H,4-7H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyOTRQLLOXRLZUTD-SECBINFHSA-N
MW409.29 g/mol
LogP1.81
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 7953770) 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-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID7953770
Molecular FormulaC15H18Cl2N2O5S
Molecular Weight409.29 g/mol
Exact Mass408.03
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(N)=O
InChIInChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-4-6-19(7-5-10)25(22,23)13-8-11(16)2-3-12(13)17/h2-3,8-10H,4-7H2,1H3,(H2,18,20)/t9-/m1/s1
InChIKeyOTRQLLOXRLZUTD-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

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 55422458
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7898414
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 24542610
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 55625184
ethyl 2-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 55985189
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 42979106
(3-methoxyphenyl)methyl 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 25310532

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 7953770) is [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate is C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is OTRQLLOXRLZUTD-SECBINFHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O5S/c1-9(14(18)20)24-15(21)10-4-6-19(7-5-10)25(22,23)13-8-11(16)2-3-12(13)17/h2-3,8-10H,4-7H2,1H3,(H2,18,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-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-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7953770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).