cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride

C6H11ClO2S — CID 98092799

IUPACcis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
SMILESCC(C)[C@@H]1C[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-4(2)5-3-6(5)10(7,8)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOXZLFOVYZNVWAP-WDSKDSINSA-N
MW182.67 g/mol
LogP1.60
Rot. Bonds2

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

cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride (PubChem CID 98092799) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
PubChem CID98092799
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Namecis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
SMILESCC(C)[C@@H]1C[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO2S/c1-4(2)5-3-6(5)10(7,8)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOXZLFOVYZNVWAP-WDSKDSINSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride (CID 98092799) is cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride is CC(C)[C@@H]1C[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The InChIKey is OXZLFOVYZNVWAP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-4(2)5-3-6(5)10(7,8)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 98092799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).