2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile

C11H18N2O2S — CID 65050324

IUPAC2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)N1CCCC1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3
InChIKeyQEHULGGEKFEQDY-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.94
Rot. Bonds2

About 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile

2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile (PubChem CID 65050324) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
PubChem CID65050324
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)N1CCCC1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3
InChIKeyQEHULGGEKFEQDY-UHFFFAOYSA-N
XLogP0.94
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile (CID 65050324) is 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile is CS(=O)(=O)C1CCCC1(C#N)N1CCCC1.
What is the InChIKey of 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is QEHULGGEKFEQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-16(14,15)10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3.
What are the key properties of 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 242.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65050324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).