(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate

C10H19NO5S2 — CID 135173319

IUPAC(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H19NO5S2/c1-17(12,13)16-8-9-4-6-11(7-5-9)18(14,15)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyRRSFKNROVNTIQM-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.17
Rot. Bonds5

About (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate

(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate (PubChem CID 135173319) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate
PubChem CID135173319
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H19NO5S2/c1-17(12,13)16-8-9-4-6-11(7-5-9)18(14,15)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyRRSFKNROVNTIQM-UHFFFAOYSA-N
XLogP0.17
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate?
The IUPAC name of (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate (CID 135173319) is (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate.
What is the SMILES notation for (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate?
The canonical SMILES for (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate is CS(=O)(=O)OCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate?
The InChIKey is RRSFKNROVNTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c1-17(12,13)16-8-9-4-6-11(7-5-9)18(14,15)10-2-3-10/h9-10H,2-8H2,1H3.
What are the key properties of (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate?
(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate has a molecular weight of 297.40 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate is sourced from PubChem (CID 135173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).