1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane

C11H21ClO2S — CID 106732578

IUPAC1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane
SMILESCC1C(Cl)CCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H21ClO2S/c1-8(2)15(13,14)7-6-10-4-5-11(12)9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyZLTOSBRWXYFCFS-UHFFFAOYSA-N
MW252.81 g/mol
LogP2.85
Rot. Bonds4

About 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane

1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane (PubChem CID 106732578) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane
PubChem CID106732578
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane
SMILESCC1C(Cl)CCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H21ClO2S/c1-8(2)15(13,14)7-6-10-4-5-11(12)9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyZLTOSBRWXYFCFS-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 52.85
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-(2-propan-2-ylsulfonylethyl)cyclopentane?
The IUPAC name of 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane (CID 106732578) is 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane.
What is the SMILES notation for 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane?
The canonical SMILES for 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane is CC1C(Cl)CCC1CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane?
The InChIKey is ZLTOSBRWXYFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-8(2)15(13,14)7-6-10-4-5-11(12)9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane?
1-chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)cyclopentane has a molecular weight of 252.81 g/mol, XLogP of 2.85, 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-(2-propan-2-ylsulfonylethyl)cyclopentane is sourced from PubChem (CID 106732578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).