(2-cyanopyrrolidin-1-yl) methanesulfonate

C6H10N2O3S — CID 174544632

IUPAC(2-cyanopyrrolidin-1-yl) methanesulfonate
SMILESCS(=O)(=O)ON1CCCC1C#N
InChIInChI=1S/C6H10N2O3S/c1-12(9,10)11-8-4-2-3-6(8)5-7/h6H,2-4H2,1H3
InChIKeyPMPYLINYQXVOLH-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.13
Rot. Bonds2

About (2-cyanopyrrolidin-1-yl) methanesulfonate

(2-cyanopyrrolidin-1-yl) methanesulfonate (PubChem CID 174544632) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is (2-cyanopyrrolidin-1-yl) methanesulfonate.

Molecular Properties

Compound Name(2-cyanopyrrolidin-1-yl) methanesulfonate
PubChem CID174544632
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name(2-cyanopyrrolidin-1-yl) methanesulfonate
SMILESCS(=O)(=O)ON1CCCC1C#N
InChIInChI=1S/C6H10N2O3S/c1-12(9,10)11-8-4-2-3-6(8)5-7/h6H,2-4H2,1H3
InChIKeyPMPYLINYQXVOLH-UHFFFAOYSA-N
XLogP-0.13
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyanopyrrolidin-1-yl) methanesulfonate?
The IUPAC name of (2-cyanopyrrolidin-1-yl) methanesulfonate (CID 174544632) is (2-cyanopyrrolidin-1-yl) methanesulfonate.
What is the SMILES notation for (2-cyanopyrrolidin-1-yl) methanesulfonate?
The canonical SMILES for (2-cyanopyrrolidin-1-yl) methanesulfonate is CS(=O)(=O)ON1CCCC1C#N.
What is the InChIKey of (2-cyanopyrrolidin-1-yl) methanesulfonate?
The InChIKey is PMPYLINYQXVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-12(9,10)11-8-4-2-3-6(8)5-7/h6H,2-4H2,1H3.
What are the key properties of (2-cyanopyrrolidin-1-yl) methanesulfonate?
(2-cyanopyrrolidin-1-yl) methanesulfonate has a molecular weight of 190.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanopyrrolidin-1-yl) methanesulfonate is sourced from PubChem (CID 174544632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).