1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine

C11H22ClNO2S — CID 79585022

IUPAC1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-3-11-6-4-5-7-13(11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3
InChIKeyPFZBKZNSJJSESX-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine

1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine (PubChem CID 79585022) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
PubChem CID79585022
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-3-11-6-4-5-7-13(11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3
InChIKeyPFZBKZNSJJSESX-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.46
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

(2S)-2-ethyl-1-(2-ethylbutylsulfonyl)azepane
CID 99809995
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
CID 79585341
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
CID 80675919
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749613
ethyl 1-(3-chloro-2-methylpropyl)sulfonylpyrrolidine-2-carboxylate
CID 79586314
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
CID 111439868
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
3-chloro-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 79585876
2-(2-ethylazepan-1-yl)sulfonylpropanoic acid
CID 104689170

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine (CID 79585022) is 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)CC(C)CCl.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine?
The InChIKey is PFZBKZNSJJSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-3-11-6-4-5-7-13(11)16(14,15)9-10(2)8-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine?
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine has a molecular weight of 267.82 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 79585022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).