1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane

C10H19ClO2S — CID 64909243

IUPAC1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane
SMILESCC1C(Cl)CCC1CCCS(C)(=O)=O
InChIInChI=1S/C10H19ClO2S/c1-8-9(5-6-10(8)11)4-3-7-14(2,12)13/h8-10H,3-7H2,1-2H3
InChIKeyLTQXAJGAPNYBOX-UHFFFAOYSA-N
MW238.78 g/mol
LogP2.46
Rot. Bonds4

About 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane

1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane (PubChem CID 64909243) has the molecular formula C10H19ClO2S and a molecular weight of 238.78 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane
PubChem CID64909243
Molecular FormulaC10H19ClO2S
Molecular Weight238.78 g/mol
Exact Mass238.08
IUPAC Name1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane
SMILESCC1C(Cl)CCC1CCCS(C)(=O)=O
InChIInChI=1S/C10H19ClO2S/c1-8-9(5-6-10(8)11)4-3-7-14(2,12)13/h8-10H,3-7H2,1-2H3
InChIKeyLTQXAJGAPNYBOX-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane?
The IUPAC name of 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane (CID 64909243) is 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane.
What is the SMILES notation for 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane?
The canonical SMILES for 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane is CC1C(Cl)CCC1CCCS(C)(=O)=O.
What is the InChIKey of 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane?
The InChIKey is LTQXAJGAPNYBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2S/c1-8-9(5-6-10(8)11)4-3-7-14(2,12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane?
1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane has a molecular weight of 238.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-(3-methylsulfonylpropyl)cyclopentane is sourced from PubChem (CID 64909243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).