trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride

C6H11ClO2S — CID 98092802

IUPACtrans-(1R,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-NTSWFWBYSA-N
MW182.67 g/mol
LogP1.60
Rot. Bonds2

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

trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride (PubChem CID 98092802) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
PubChem CID98092802
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Nametrans-(1R,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-NTSWFWBYSA-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 trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The IUPAC name of trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride (CID 98092802) is trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for trans-(1R,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 trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
The InChIKey is OXZLFOVYZNVWAP-NTSWFWBYSA-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 trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride?
trans-(1R,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 trans-(1R,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 98092802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).