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

C10H18N2O3S — CID 103990319

IUPAC1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
SMILESCOCCS(=O)(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C10H18N2O3S/c1-10(9-11)3-5-12(6-4-10)16(13,14)8-7-15-2/h3-8H2,1-2H3
InChIKeyIPCWRCIYLGUATA-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.59
Rot. Bonds4

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

1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 103990319) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
PubChem CID103990319
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
SMILESCOCCS(=O)(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C10H18N2O3S/c1-10(9-11)3-5-12(6-4-10)16(13,14)8-7-15-2/h3-8H2,1-2H3
InChIKeyIPCWRCIYLGUATA-UHFFFAOYSA-N
XLogP0.59
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-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

Related Compounds

1-(3-methoxypropylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 113362560
1-ethylsulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990296
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-(4-methoxybutan-2-yl)-4-methylpiperidine-4-carbonitrile
CID 103993923
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575
1-[2-(2-methoxyethoxy)acetyl]-4-methylpiperidine-4-carbonitrile
CID 113368421
4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
1-[(2-cyanophenyl)methylsulfonyl]-4-methylpiperidine-4-carbonitrile
CID 103990260
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide
CID 104919438

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile (CID 103990319) is 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile is COCCS(=O)(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is IPCWRCIYLGUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(9-11)3-5-12(6-4-10)16(13,14)8-7-15-2/h3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile?
1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103990319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).