methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate

C7H13ClN2O4S — CID 141034035

IUPACmethyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1NS(=O)(=O)Cl
InChIInChI=1S/C7H13ClN2O4S/c1-14-7(11)10-5-3-2-4-6(10)9-15(8,12)13/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyPDUQIIZEKVCVFP-LURJTMIESA-N
MW256.71 g/mol
LogP0.64
Rot. Bonds2

About methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate

methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate (PubChem CID 141034035) has the molecular formula C7H13ClN2O4S and a molecular weight of 256.71 g/mol. Its IUPAC name is methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate
PubChem CID141034035
Molecular FormulaC7H13ClN2O4S
Molecular Weight256.71 g/mol
Exact Mass256.03
IUPAC Namemethyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1NS(=O)(=O)Cl
InChIInChI=1S/C7H13ClN2O4S/c1-14-7(11)10-5-3-2-4-6(10)9-15(8,12)13/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyPDUQIIZEKVCVFP-LURJTMIESA-N
XLogP0.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
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CID 166022780
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
CID 10513498
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
CID 84681171
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
tert-butyl 2-(propylamino)piperidine-1-carboxylate
CID 141154909
methyl (2R)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 102330821
tert-butyl 2-methylsulfonylpiperidine-1-carboxylate
CID 69044724

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate (CID 141034035) is methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1NS(=O)(=O)Cl.
What is the InChIKey of methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate?
The InChIKey is PDUQIIZEKVCVFP-LURJTMIESA-N. The full InChI is InChI=1S/C7H13ClN2O4S/c1-14-7(11)10-5-3-2-4-6(10)9-15(8,12)13/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate?
methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate has a molecular weight of 256.71 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(chlorosulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 141034035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).