1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

C9H16N2O2S — CID 65045168

IUPAC1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-3-11-9(7-10)6-4-5-8(9)14(2,12)13/h8,11H,3-6H2,1-2H3
InChIKeyKJFVCHRZLYJXQD-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.46
Rot. Bonds3

About 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65045168) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65045168
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-3-11-9(7-10)6-4-5-8(9)14(2,12)13/h8,11H,3-6H2,1-2H3
InChIKeyKJFVCHRZLYJXQD-UHFFFAOYSA-N
XLogP0.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65045168) is 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is KJFVCHRZLYJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-11-9(7-10)6-4-5-8(9)14(2,12)13/h8,11H,3-6H2,1-2H3.
What are the key properties of 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65045168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).