2-(3-methylazetidin-1-yl)sulfonylbutanenitrile

C8H14N2O2S — CID 130634227

IUPAC2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
SMILESCCC(C#N)S(=O)(=O)N1CC(C)C1
InChIInChI=1S/C8H14N2O2S/c1-3-8(4-9)13(11,12)10-5-7(2)6-10/h7-8H,3,5-6H2,1-2H3
InChIKeyRIIDARGNNONELT-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.57
Rot. Bonds3

About 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile

2-(3-methylazetidin-1-yl)sulfonylbutanenitrile (PubChem CID 130634227) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile.

Molecular Properties

Compound Name2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
PubChem CID130634227
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
SMILESCCC(C#N)S(=O)(=O)N1CC(C)C1
InChIInChI=1S/C8H14N2O2S/c1-3-8(4-9)13(11,12)10-5-7(2)6-10/h7-8H,3,5-6H2,1-2H3
InChIKeyRIIDARGNNONELT-UHFFFAOYSA-N
XLogP0.57
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-1-propan-2-ylsulfonylazetidine
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2-[(2S)-2-methylpiperazin-1-yl]sulfonylbutanenitrile
CID 82755361
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]butanenitrile
CID 107271352
2-[8-(1-cyanopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608666
3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 134034359
2-[2-(2-oxopropyl)azepan-1-yl]sulfonylbutanenitrile
CID 79560682
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylbutanenitrile
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1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile?
The IUPAC name of 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile (CID 130634227) is 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile.
What is the SMILES notation for 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile?
The canonical SMILES for 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile is CCC(C#N)S(=O)(=O)N1CC(C)C1.
What is the InChIKey of 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile?
The InChIKey is RIIDARGNNONELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-8(4-9)13(11,12)10-5-7(2)6-10/h7-8H,3,5-6H2,1-2H3.
What are the key properties of 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile?
2-(3-methylazetidin-1-yl)sulfonylbutanenitrile has a molecular weight of 202.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-1-yl)sulfonylbutanenitrile is sourced from PubChem (CID 130634227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).