trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride

C7H13ClO3S — CID 124513069

IUPACtrans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride
SMILESCO[C@H]1CCCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeySZSTYCAMYADOFB-BQBZGAKWSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

About trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride

trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride (PubChem CID 124513069) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride
PubChem CID124513069
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Nametrans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride
SMILESCO[C@H]1CCCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeySZSTYCAMYADOFB-BQBZGAKWSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride?
The IUPAC name of trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride (CID 124513069) is trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride is CO[C@H]1CCCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride?
The InChIKey is SZSTYCAMYADOFB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride?
trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 124513069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).