1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile

C9H16N2O2S — CID 165463352

IUPAC1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCCN(C)CC1(C#N)CC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-4-11(2)7-9(6-10)5-8(9)14(3,12)13/h8H,4-5,7H2,1-3H3
InChIKeyOTJGTQOXTAZCDN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.26
Rot. Bonds4

About 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile

1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile (PubChem CID 165463352) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile
PubChem CID165463352
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCCN(C)CC1(C#N)CC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-4-11(2)7-9(6-10)5-8(9)14(3,12)13/h8H,4-5,7H2,1-3H3
InChIKeyOTJGTQOXTAZCDN-UHFFFAOYSA-N
XLogP0.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile (CID 165463352) is 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile is CCN(C)CC1(C#N)CC1S(C)(=O)=O.
What is the InChIKey of 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is OTJGTQOXTAZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-4-11(2)7-9(6-10)5-8(9)14(3,12)13/h8H,4-5,7H2,1-3H3.
What are the key properties of 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile?
1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(methyl)amino]methyl]-2-methylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 165463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).