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

C8H16ClNO3S — CID 63396714

IUPAC4-chloro-1-(2-methoxyethylsulfonyl)piperidine
SMILESCOCCS(=O)(=O)N1CCC(Cl)CC1
InChIInChI=1S/C8H16ClNO3S/c1-13-6-7-14(11,12)10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyXTXMDWWWKGHLQC-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds4

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

4-chloro-1-(2-methoxyethylsulfonyl)piperidine (PubChem CID 63396714) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyethylsulfonyl)piperidine
PubChem CID63396714
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-chloro-1-(2-methoxyethylsulfonyl)piperidine
SMILESCOCCS(=O)(=O)N1CCC(Cl)CC1
InChIInChI=1S/C8H16ClNO3S/c1-13-6-7-14(11,12)10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyXTXMDWWWKGHLQC-UHFFFAOYSA-N
XLogP0.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
CID 84599871
ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
CID 55173077
4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol
CID 175764569
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716437
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
3-bromo-1-(2-methoxyethylsulfonyl)piperidine
CID 80675894
5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine
CID 136574343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyethylsulfonyl)piperidine?
The IUPAC name of 4-chloro-1-(2-methoxyethylsulfonyl)piperidine (CID 63396714) is 4-chloro-1-(2-methoxyethylsulfonyl)piperidine.
What is the SMILES notation for 4-chloro-1-(2-methoxyethylsulfonyl)piperidine?
The canonical SMILES for 4-chloro-1-(2-methoxyethylsulfonyl)piperidine is COCCS(=O)(=O)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(2-methoxyethylsulfonyl)piperidine?
The InChIKey is XTXMDWWWKGHLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-13-6-7-14(11,12)10-4-2-8(9)3-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-chloro-1-(2-methoxyethylsulfonyl)piperidine?
4-chloro-1-(2-methoxyethylsulfonyl)piperidine has a molecular weight of 241.74 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyethylsulfonyl)piperidine is sourced from PubChem (CID 63396714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).