4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine

C11H22ClNO2S — CID 106731403

IUPAC4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClNO2S/c1-3-7-16(14,15)8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyIKBNRONAKGUMEE-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.76
Rot. Bonds5

About 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine

4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine (PubChem CID 106731403) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
PubChem CID106731403
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClNO2S/c1-3-7-16(14,15)8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyIKBNRONAKGUMEE-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.76
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

3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132
4-chloro-3-methyl-1-pentylpiperidine
CID 114682273
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486
4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
CID 114682188
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
CID 106732690
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine?
The IUPAC name of 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine (CID 106731403) is 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine?
The canonical SMILES for 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine is CCCS(=O)(=O)CCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine?
The InChIKey is IKBNRONAKGUMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-3-7-16(14,15)8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine?
4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine has a molecular weight of 267.82 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine is sourced from PubChem (CID 106731403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).