2-(chloromethyl)-1-cyclopropylsulfonylpiperidine

C9H16ClNO2S — CID 64552452

IUPAC2-(chloromethyl)-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCCC1CCl
InChIInChI=1S/C9H16ClNO2S/c10-7-8-3-1-2-6-11(8)14(12,13)9-4-5-9/h8-9H,1-7H2
InChIKeyZXDACHNEKSABFV-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.57
Rot. Bonds3

About 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine

2-(chloromethyl)-1-cyclopropylsulfonylpiperidine (PubChem CID 64552452) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclopropylsulfonylpiperidine
PubChem CID64552452
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name2-(chloromethyl)-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCCC1CCl
InChIInChI=1S/C9H16ClNO2S/c10-7-8-3-1-2-6-11(8)14(12,13)9-4-5-9/h8-9H,1-7H2
InChIKeyZXDACHNEKSABFV-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.57
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-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
2-(chloromethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63396955
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
CID 55185745
1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546790
2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 63397745
1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
CID 63396570
ethyl N-[2-(chloromethyl)piperidin-1-yl]sulfonylcarbamate
CID 114466212
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
CID 63397000
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine (CID 64552452) is 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine is O=S(=O)(C1CC1)N1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine?
The InChIKey is ZXDACHNEKSABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c10-7-8-3-1-2-6-11(8)14(12,13)9-4-5-9/h8-9H,1-7H2.
What are the key properties of 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine?
2-(chloromethyl)-1-cyclopropylsulfonylpiperidine has a molecular weight of 237.75 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 64552452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).