(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide

C6H11ClO2S — CID 13280512

IUPAC(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide
SMILESC[C@@H]1CC[C@@H](Cl)CS1(=O)=O
InChIInChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyHLOYKZQGJREQRZ-PHDIDXHHSA-N
MW182.67 g/mol
LogP1.19
Rot. Bonds

About (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide

(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide (PubChem CID 13280512) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide
PubChem CID13280512
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide
SMILESC[C@@H]1CC[C@@H](Cl)CS1(=O)=O
InChIInChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyHLOYKZQGJREQRZ-PHDIDXHHSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.19
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 (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide?
The IUPAC name of (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide (CID 13280512) is (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide.
What is the SMILES notation for (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide?
The canonical SMILES for (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide is C[C@@H]1CC[C@@H](Cl)CS1(=O)=O.
What is the InChIKey of (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide?
The InChIKey is HLOYKZQGJREQRZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide?
(2R,5R)-5-chloro-2-methylthiane 1,1-dioxide has a molecular weight of 182.67 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-chloro-2-methylthiane 1,1-dioxide is sourced from PubChem (CID 13280512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).