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

C9H17NO4S — CID 63844849

IUPAC1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
SMILESCOCCS(=O)(=O)N1CCC(C=O)CC1
InChIInChI=1S/C9H17NO4S/c1-14-6-7-15(12,13)10-4-2-9(8-11)3-5-10/h8-9H,2-7H2,1H3
InChIKeyYNSAAXSTTZCLON-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.13
Rot. Bonds5

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

1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde (PubChem CID 63844849) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
PubChem CID63844849
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
SMILESCOCCS(=O)(=O)N1CCC(C=O)CC1
InChIInChI=1S/C9H17NO4S/c1-14-6-7-15(12,13)10-4-2-9(8-11)3-5-10/h8-9H,2-7H2,1H3
InChIKeyYNSAAXSTTZCLON-UHFFFAOYSA-N
XLogP-0.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
1-(methylsulfonylmethylsulfonyl)piperidine-4-carbaldehyde
CID 82842599
2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
CID 84599871
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
3-bromo-1-(2-methoxyethylsulfonyl)piperidine
CID 80675894
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde (CID 63844849) is 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde is COCCS(=O)(=O)N1CCC(C=O)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde?
The InChIKey is YNSAAXSTTZCLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-6-7-15(12,13)10-4-2-9(8-11)3-5-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde?
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde has a molecular weight of 235.30 g/mol, XLogP of -0.13, 5 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-carbaldehyde is sourced from PubChem (CID 63844849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).