(1-chloro-5-methylsulfonylpentyl)cyclopropane

C9H17ClO2S — CID 63357814

IUPAC(1-chloro-5-methylsulfonylpentyl)cyclopropane
SMILESCS(=O)(=O)CCCCC(Cl)C1CC1
InChIInChI=1S/C9H17ClO2S/c1-13(11,12)7-3-2-4-9(10)8-5-6-8/h8-9H,2-7H2,1H3
InChIKeyKHMOUSCTKVGACA-UHFFFAOYSA-N
MW224.75 g/mol
LogP2.22
Rot. Bonds6

About (1-chloro-5-methylsulfonylpentyl)cyclopropane

(1-chloro-5-methylsulfonylpentyl)cyclopropane (PubChem CID 63357814) has the molecular formula C9H17ClO2S and a molecular weight of 224.75 g/mol. Its IUPAC name is (1-chloro-5-methylsulfonylpentyl)cyclopropane.

Molecular Properties

Compound Name(1-chloro-5-methylsulfonylpentyl)cyclopropane
PubChem CID63357814
Molecular FormulaC9H17ClO2S
Molecular Weight224.75 g/mol
Exact Mass224.06
IUPAC Name(1-chloro-5-methylsulfonylpentyl)cyclopropane
SMILESCS(=O)(=O)CCCCC(Cl)C1CC1
InChIInChI=1S/C9H17ClO2S/c1-13(11,12)7-3-2-4-9(10)8-5-6-8/h8-9H,2-7H2,1H3
InChIKeyKHMOUSCTKVGACA-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.75
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-5-methylsulfonylpentyl)cyclopropane?
The IUPAC name of (1-chloro-5-methylsulfonylpentyl)cyclopropane (CID 63357814) is (1-chloro-5-methylsulfonylpentyl)cyclopropane.
What is the SMILES notation for (1-chloro-5-methylsulfonylpentyl)cyclopropane?
The canonical SMILES for (1-chloro-5-methylsulfonylpentyl)cyclopropane is CS(=O)(=O)CCCCC(Cl)C1CC1.
What is the InChIKey of (1-chloro-5-methylsulfonylpentyl)cyclopropane?
The InChIKey is KHMOUSCTKVGACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2S/c1-13(11,12)7-3-2-4-9(10)8-5-6-8/h8-9H,2-7H2,1H3.
What are the key properties of (1-chloro-5-methylsulfonylpentyl)cyclopropane?
(1-chloro-5-methylsulfonylpentyl)cyclopropane has a molecular weight of 224.75 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-5-methylsulfonylpentyl)cyclopropane is sourced from PubChem (CID 63357814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).