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

C6H11ClO3S — CID 124709179

IUPACtrans-(1S,2S)-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-/m0/s1
InChIKeyHMNCIUASKYPWAQ-WDSKDSINSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds2

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

trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride (PubChem CID 124709179) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride
PubChem CID124709179
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Nametrans-(1S,2S)-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-/m0/s1
InChIKeyHMNCIUASKYPWAQ-WDSKDSINSA-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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Related Compounds

Oxolan-2-ylmethanesulfonyl chloride
CID 22636887
rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
rac-(1R,2S)-2-methoxycyclopentane-1-sulfonyl chloride
CID 122163732
rac-(1R,2S)-2-(propan-2-yloxy)cyclopentane-1-sulfonyl chloride
CID 138039759
5-Methyloxolane-3-sulfonyl chloride
CID 165446323
(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride
CID 165453431
rac-(1R,2S)-2-methoxycyclopentane-1-sulfonyl fluoride
CID 165459359
(1R,2S)-2-methoxycyclopentane-1-sulfonyl fluoride
CID 165461080
2-Methoxycyclopentane-1-sulfonyl fluoride
CID 165716978
rac-(1R,2S)-2-ethoxycyclopentane-1-sulfonyl fluoride
CID 165984047
rac-(1R,2S)-2-(propan-2-yloxy)cyclopentane-1-sulfonyl fluoride
CID 165984619
5-Methoxypentane-1-sulfonyl chloride
CID 64198861

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride?
The IUPAC name of trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride (CID 124709179) is trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride?
The canonical SMILES for trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride is CO[C@H]1CCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride?
The InChIKey is HMNCIUASKYPWAQ-WDSKDSINSA-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-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride?
trans-(1S,2S)-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 trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride is sourced from PubChem (CID 124709179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).