1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile

C9H16N2O3S — CID 62734074

IUPAC1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile
SMILESCOCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyBDUCNYKBPQYZQE-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile

1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile (PubChem CID 62734074) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile
PubChem CID62734074
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile
SMILESCOCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyBDUCNYKBPQYZQE-UHFFFAOYSA-N
XLogP0.20
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile (CID 62734074) is 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile is COCCS(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile?
The InChIKey is BDUCNYKBPQYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile?
1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 62734074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).