4-cyclopentylsulfonylmorpholine-2-carbonitrile

C10H16N2O3S — CID 115616289

IUPAC4-cyclopentylsulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C10H16N2O3S/c11-7-9-8-12(5-6-15-9)16(13,14)10-3-1-2-4-10/h9-10H,1-6,8H2
InChIKeyMQGMAYAKDFNIGG-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.48
Rot. Bonds2

About 4-cyclopentylsulfonylmorpholine-2-carbonitrile

4-cyclopentylsulfonylmorpholine-2-carbonitrile (PubChem CID 115616289) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-cyclopentylsulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-cyclopentylsulfonylmorpholine-2-carbonitrile
PubChem CID115616289
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-cyclopentylsulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C10H16N2O3S/c11-7-9-8-12(5-6-15-9)16(13,14)10-3-1-2-4-10/h9-10H,1-6,8H2
InChIKeyMQGMAYAKDFNIGG-UHFFFAOYSA-N
XLogP0.48
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-cyclopentylsulfonylmorpholine-2-carbonitrile (CID 115616289) is 4-cyclopentylsulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-cyclopentylsulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-cyclopentylsulfonylmorpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)C2CCCC2)CCO1.
What is the InChIKey of 4-cyclopentylsulfonylmorpholine-2-carbonitrile?
The InChIKey is MQGMAYAKDFNIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-7-9-8-12(5-6-15-9)16(13,14)10-3-1-2-4-10/h9-10H,1-6,8H2.
What are the key properties of 4-cyclopentylsulfonylmorpholine-2-carbonitrile?
4-cyclopentylsulfonylmorpholine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 115616289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).