(3R)-1-methylsulfonylpiperidine-3-carboxylate

C7H12NO4S- — CID 7026182

IUPAC(3R)-1-methylsulfonylpiperidine-3-carboxylate
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyJYNPFTCJJVIWTD-ZCFIWIBFSA-M
MW206.24 g/mol
LogP-1.59
Rot. Bonds2

About (3R)-1-methylsulfonylpiperidine-3-carboxylate

(3R)-1-methylsulfonylpiperidine-3-carboxylate (PubChem CID 7026182) has the molecular formula C7H12NO4S- and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R)-1-methylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-methylsulfonylpiperidine-3-carboxylate
PubChem CID7026182
Molecular FormulaC7H12NO4S-
Molecular Weight206.24 g/mol
Exact Mass206.05
IUPAC Name(3R)-1-methylsulfonylpiperidine-3-carboxylate
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyJYNPFTCJJVIWTD-ZCFIWIBFSA-M
XLogP-1.59
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The IUPAC name of (3R)-1-methylsulfonylpiperidine-3-carboxylate (CID 7026182) is (3R)-1-methylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for (3R)-1-methylsulfonylpiperidine-3-carboxylate is CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1.
What is the InChIKey of (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The InChIKey is JYNPFTCJJVIWTD-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1/t6-/m1/s1.
What are the key properties of (3R)-1-methylsulfonylpiperidine-3-carboxylate?
(3R)-1-methylsulfonylpiperidine-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of -1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 7026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).