cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride

C6H11ClO3S — CID 122163732

IUPACcis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride
SMILESCO[C@@H]1CCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyHMNCIUASKYPWAQ-RITPCOANSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds2

About cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride

cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride (PubChem CID 122163732) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride
PubChem CID122163732
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Namecis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride
SMILESCO[C@@H]1CCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyHMNCIUASKYPWAQ-RITPCOANSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride (CID 122163732) is cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride is CO[C@@H]1CCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride?
The InChIKey is HMNCIUASKYPWAQ-RITPCOANSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride?
cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methoxycyclopentane-1-sulfonyl chloride is sourced from PubChem (CID 122163732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).