1-ethylsulfonylazetidine-3-carbonitrile

C6H10N2O2S — CID 131173740

IUPAC1-ethylsulfonylazetidine-3-carbonitrile
SMILESCCS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C6H10N2O2S/c1-2-11(9,10)8-4-6(3-7)5-8/h6H,2,4-5H2,1H3
InChIKeyDOJJTKAETOYJJT-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.21
Rot. Bonds2

About 1-ethylsulfonylazetidine-3-carbonitrile

1-ethylsulfonylazetidine-3-carbonitrile (PubChem CID 131173740) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-ethylsulfonylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-ethylsulfonylazetidine-3-carbonitrile
PubChem CID131173740
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-ethylsulfonylazetidine-3-carbonitrile
SMILESCCS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C6H10N2O2S/c1-2-11(9,10)8-4-6(3-7)5-8/h6H,2,4-5H2,1H3
InChIKeyDOJJTKAETOYJJT-UHFFFAOYSA-N
XLogP-0.21
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Cyanoethyl)-N-methyl-1-propanesulfonamide
CID 28387040
1-(2-Methylpropylsulfonyl)azetidine
CID 58756970
3-Methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
1-Cyclopropylsulfonyl-3-methylazetidine
CID 66851897
1-Ethylsulfonyl-3,3-dimethylazetidine
CID 89570233
1-Methyl-3-methylsulfonylazetidine-3-carbonitrile
CID 90456278
3-Methyl-1-propylsulfonylazetidine
CID 123366950
1-Tert-butylsulfonylazetidine-3-carbonitrile
CID 124098640
1-Methanesulfonylazetidine-3-carbonitrile
CID 126855060
1-Ethylsulfonyl-3-methylazetidine
CID 126994183
3-Methyl-1-methylsulfonylazetidine-3-carbonitrile
CID 130611930
1-Ethylsulfonyl-3-methylazetidine-3-carbonitrile
CID 130843003

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylazetidine-3-carbonitrile?
The IUPAC name of 1-ethylsulfonylazetidine-3-carbonitrile (CID 131173740) is 1-ethylsulfonylazetidine-3-carbonitrile.
What is the SMILES notation for 1-ethylsulfonylazetidine-3-carbonitrile?
The canonical SMILES for 1-ethylsulfonylazetidine-3-carbonitrile is CCS(=O)(=O)N1CC(C#N)C1.
What is the InChIKey of 1-ethylsulfonylazetidine-3-carbonitrile?
The InChIKey is DOJJTKAETOYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-11(9,10)8-4-6(3-7)5-8/h6H,2,4-5H2,1H3.
What are the key properties of 1-ethylsulfonylazetidine-3-carbonitrile?
1-ethylsulfonylazetidine-3-carbonitrile has a molecular weight of 174.22 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylazetidine-3-carbonitrile is sourced from PubChem (CID 131173740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).