1-(2-chloroethylsulfonyl)-4-methylpiperidine

C8H16ClNO2S — CID 60722884

IUPAC1-(2-chloroethylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCCl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-8-2-5-10(6-3-8)13(11,12)7-4-9/h8H,2-7H2,1H3
InChIKeyYKDQGLCZXJAEMI-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.29
Rot. Bonds3

About 1-(2-chloroethylsulfonyl)-4-methylpiperidine

1-(2-chloroethylsulfonyl)-4-methylpiperidine (PubChem CID 60722884) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-(2-chloroethylsulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-chloroethylsulfonyl)-4-methylpiperidine
PubChem CID60722884
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name1-(2-chloroethylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCCl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-8-2-5-10(6-3-8)13(11,12)7-4-9/h8H,2-7H2,1H3
InChIKeyYKDQGLCZXJAEMI-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
1-(2-chloroethylsulfonyl)piperidine-4-carbonitrile
CID 164650538
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
bis[2-(4-methylpiperidin-1-yl)sulfonylethylamino] oxalate
CID 170922093
4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
6-(2-chloroethylsulfonyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81205615
N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
CID 107652387
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfonyl)-4-methylpiperidine?
The IUPAC name of 1-(2-chloroethylsulfonyl)-4-methylpiperidine (CID 60722884) is 1-(2-chloroethylsulfonyl)-4-methylpiperidine.
What is the SMILES notation for 1-(2-chloroethylsulfonyl)-4-methylpiperidine?
The canonical SMILES for 1-(2-chloroethylsulfonyl)-4-methylpiperidine is CC1CCN(S(=O)(=O)CCCl)CC1.
What is the InChIKey of 1-(2-chloroethylsulfonyl)-4-methylpiperidine?
The InChIKey is YKDQGLCZXJAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-8-2-5-10(6-3-8)13(11,12)7-4-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-chloroethylsulfonyl)-4-methylpiperidine?
1-(2-chloroethylsulfonyl)-4-methylpiperidine has a molecular weight of 225.74 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfonyl)-4-methylpiperidine is sourced from PubChem (CID 60722884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).