[(3R)-piperidin-3-yl] methanesulfonate

C6H13NO3S — CID 87919768

IUPAC[(3R)-piperidin-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)10-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyNBFIAMNDAAXUFC-ZCFIWIBFSA-N
MW179.24 g/mol
LogP-0.29
Rot. Bonds2

About [(3R)-piperidin-3-yl] methanesulfonate

[(3R)-piperidin-3-yl] methanesulfonate (PubChem CID 87919768) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl] methanesulfonate
PubChem CID87919768
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name[(3R)-piperidin-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)10-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyNBFIAMNDAAXUFC-ZCFIWIBFSA-N
XLogP-0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Piperidin-3-yl methanesulfonate hydrochloride
CID 170911988
Trifluoro-methanesulfonic acid piperidin-3-yl ester
CID 53346619
[(3S)-piperidin-3-yl] trifluoromethanesulfonate
CID 98099267
[(3R)-piperidin-3-yl] trifluoromethanesulfonate
CID 98099268
[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl] methanesulfonate
CID 162588638
Piperidin-4-yl methanesulfonate
CID 20184466
1-Methylpiperidin-3-yl methanesulfonate
CID 55266256
N-[(3R,4R)-3-methoxypiperidin-4-yl]methanesulfonamide
CID 68054347
N-[(3S,4R)-3-methoxypiperidin-4-yl]methanesulfonamide
CID 68054361
N-(3-methoxypiperidin-4-yl)methanesulfonamide
CID 69549174
O-(1-methylsulfonylpiperidin-3-yl)hydroxylamine
CID 84114131
N-(3-piperidinyloxy)methanesulfonamide
CID 84114136

Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl] methanesulfonate?
The IUPAC name of [(3R)-piperidin-3-yl] methanesulfonate (CID 87919768) is [(3R)-piperidin-3-yl] methanesulfonate.
What is the SMILES notation for [(3R)-piperidin-3-yl] methanesulfonate?
The canonical SMILES for [(3R)-piperidin-3-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1CCCNC1.
What is the InChIKey of [(3R)-piperidin-3-yl] methanesulfonate?
The InChIKey is NBFIAMNDAAXUFC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(8,9)10-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl] methanesulfonate?
[(3R)-piperidin-3-yl] methanesulfonate has a molecular weight of 179.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl] methanesulfonate is sourced from PubChem (CID 87919768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).