1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile

C11H21N3O2S — CID 65045118

IUPAC1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCN(C)CCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-14(2)8-7-13-11(9-12)6-4-5-10(11)17(3,15)16/h10,13H,4-8H2,1-3H3
InChIKeyWNJRXKNXQGDGET-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.00
Rot. Bonds5

About 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile

1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65045118) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65045118
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCN(C)CCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-14(2)8-7-13-11(9-12)6-4-5-10(11)17(3,15)16/h10,13H,4-8H2,1-3H3
InChIKeyWNJRXKNXQGDGET-UHFFFAOYSA-N
XLogP-0.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65045118) is 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile is CN(C)CCNC1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is WNJRXKNXQGDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-14(2)8-7-13-11(9-12)6-4-5-10(11)17(3,15)16/h10,13H,4-8H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile?
1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 259.37 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65045118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).