2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine

C12H23ClN2O2S — CID 55185745

IUPAC2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCCCC2CCl)C1
InChIInChI=1S/C12H23ClN2O2S/c1-11-5-4-7-14(10-11)18(16,17)15-8-3-2-6-12(15)9-13/h11-12H,2-10H2,1H3
InChIKeyMMYLPXALIDLHFJ-UHFFFAOYSA-N
MW294.85 g/mol
LogP2.06
Rot. Bonds3

About 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine

2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine (PubChem CID 55185745) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
PubChem CID55185745
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC Name2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCCCC2CCl)C1
InChIInChI=1S/C12H23ClN2O2S/c1-11-5-4-7-14(10-11)18(16,17)15-8-3-2-6-12(15)9-13/h11-12H,2-10H2,1H3
InChIKeyMMYLPXALIDLHFJ-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 52.06
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

methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
2-isocyanato-1-(3-methylpiperidin-1-yl)sulfonylazepane
CID 64563667
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
2-(chloromethyl)-1-cyclopropylsulfonylpiperidine
CID 64552452
1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 60857611
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
1-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60857643
[1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
(4aS,8aS)-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 97023584
4-(3-methylpiperidin-1-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71892725
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine?
The IUPAC name of 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine (CID 55185745) is 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine is CC1CCCN(S(=O)(=O)N2CCCCC2CCl)C1.
What is the InChIKey of 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine?
The InChIKey is MMYLPXALIDLHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2S/c1-11-5-4-7-14(10-11)18(16,17)15-8-3-2-6-12(15)9-13/h11-12H,2-10H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine?
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine has a molecular weight of 294.85 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 55185745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).