cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride

C8H15ClO3S — CID 138039759

IUPACcis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride
SMILESCC(C)O[C@@H]1CCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C8H15ClO3S/c1-6(2)12-7-4-3-5-8(7)13(9,10)11/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyKTUVFSDRZNBXSL-SFYZADRCSA-N
MW226.72 g/mol
LogP1.90
Rot. Bonds3

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

cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride (PubChem CID 138039759) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride
PubChem CID138039759
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Namecis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride
SMILESCC(C)O[C@@H]1CCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C8H15ClO3S/c1-6(2)12-7-4-3-5-8(7)13(9,10)11/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyKTUVFSDRZNBXSL-SFYZADRCSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.90
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
5-Methyloxolane-3-sulfonyl chloride
CID 165446323
trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride
CID 124709179
(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
2-Methyloxolane-3-sulfonyl chloride
CID 71757247

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride (CID 138039759) is cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride is CC(C)O[C@@H]1CCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride?
The InChIKey is KTUVFSDRZNBXSL-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-6(2)12-7-4-3-5-8(7)13(9,10)11/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride?
cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride is sourced from PubChem (CID 138039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).