1-propan-2-ylcyclopropane-1-sulfonyl chloride

C6H11ClO2S — CID 119057073

IUPAC1-propan-2-ylcyclopropane-1-sulfonyl chloride
SMILESCC(C)C1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClO2S/c1-5(2)6(3-4-6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyJEERJZUNIBOLOX-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.74
Rot. Bonds2

About 1-propan-2-ylcyclopropane-1-sulfonyl chloride

1-propan-2-ylcyclopropane-1-sulfonyl chloride (PubChem CID 119057073) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 1-propan-2-ylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-propan-2-ylcyclopropane-1-sulfonyl chloride
PubChem CID119057073
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name1-propan-2-ylcyclopropane-1-sulfonyl chloride
SMILESCC(C)C1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClO2S/c1-5(2)6(3-4-6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKeyJEERJZUNIBOLOX-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
1-Ethylcyclopropane-1-sulfonyl chloride
CID 58557762
1-(3-Fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
CID 91296314
2-Cyclopropyl-2-fluoropropane-1-sulfonyl chloride
CID 126849347
1-(Propan-2-yl)cyclopropane-1-sulfonyl fluoride
CID 165840423
2-Methylpentane-2-sulfonyl chloride
CID 22935866
2-(Propan-2-yl)cyclopropane-1-sulfonyl chloride
CID 45789989
2-(2-Methyl)propyl-cyclopropanesulfonylchloride
CID 55212030
1-(Propan-2-yl)cyclopropane-1-sulfonamide
CID 57740114
1-butyl-Cyclopropanesulfonyl chloride
CID 87574434
2,3-Dimethylbutane-2-sulfonyl chloride
CID 91092354
rel-(1R,2S)-2-Isopropylcyclopropane-1-sulfonyl chloride
CID 98092802

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-propan-2-ylcyclopropane-1-sulfonyl chloride (CID 119057073) is 1-propan-2-ylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-propan-2-ylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-propan-2-ylcyclopropane-1-sulfonyl chloride is CC(C)C1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-propan-2-ylcyclopropane-1-sulfonyl chloride?
The InChIKey is JEERJZUNIBOLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-5(2)6(3-4-6)10(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclopropane-1-sulfonyl chloride?
1-propan-2-ylcyclopropane-1-sulfonyl chloride has a molecular weight of 182.67 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 119057073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).