tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate

C15H29NO4S — CID 126817043

IUPACtert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate
SMILESC[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1CCCS(C)(=O)=O
InChIInChI=1S/C15H29NO4S/c1-12-8-6-9-13(14(17)20-15(2,3)4)16(12)10-7-11-21(5,18)19/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyVXLXNPGFWIMYPM-CHWSQXEVSA-N
MW319.47 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate

tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate (PubChem CID 126817043) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate
PubChem CID126817043
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Nametert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate
SMILESC[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1CCCS(C)(=O)=O
InChIInChI=1S/C15H29NO4S/c1-12-8-6-9-13(14(17)20-15(2,3)4)16(12)10-7-11-21(5,18)19/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyVXLXNPGFWIMYPM-CHWSQXEVSA-N
XLogP2.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate (CID 126817043) is tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate is C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1CCCS(C)(=O)=O.
What is the InChIKey of tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate?
The InChIKey is VXLXNPGFWIMYPM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H29NO4S/c1-12-8-6-9-13(14(17)20-15(2,3)4)16(12)10-7-11-21(5,18)19/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate?
tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate has a molecular weight of 319.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-6-methyl-1-(3-methylsulfonylpropyl)piperidine-2-carboxylate is sourced from PubChem (CID 126817043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).