methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate

C12H18N2O5S — CID 103343209

IUPACmethyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H18N2O5S/c1-18-12(15)10-3-2-4-11(10)20(16,17)14-5-6-19-9(7-13)8-14/h9-11H,2-6,8H2,1H3
InChIKeyMBJKSSYSMXHSPZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.12
Rot. Bonds3

About methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate

methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate (PubChem CID 103343209) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
PubChem CID103343209
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H18N2O5S/c1-18-12(15)10-3-2-4-11(10)20(16,17)14-5-6-19-9(7-13)8-14/h9-11H,2-6,8H2,1H3
InChIKeyMBJKSSYSMXHSPZ-UHFFFAOYSA-N
XLogP-0.12
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopentylsulfonylmorpholine-2-carbonitrile
CID 115616289
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
methyl 2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 107215602
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile
CID 78946361
methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103342782
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
CID 78946362
3-[(2-cyanomorpholin-4-yl)sulfonyl-methylamino]propanoic acid
CID 79675053

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate (CID 103343209) is methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CCOC(C#N)C1.
What is the InChIKey of methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is MBJKSSYSMXHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-18-12(15)10-3-2-4-11(10)20(16,17)14-5-6-19-9(7-13)8-14/h9-11H,2-6,8H2,1H3.
What are the key properties of methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 302.35 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 103343209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).