1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride

C11H17ClO3S — CID 165490406

IUPAC1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCC3(CCC3)O2)CC1
InChIInChI=1S/C11H17ClO3S/c12-16(13,14)11(6-7-11)8-9-2-5-10(15-9)3-1-4-10/h9H,1-8H2
InChIKeyRBZZRNXBVQWKQF-UHFFFAOYSA-N
MW264.77 g/mol
LogP2.58
Rot. Bonds3

About 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride

1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165490406) has the molecular formula C11H17ClO3S and a molecular weight of 264.77 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
PubChem CID165490406
Molecular FormulaC11H17ClO3S
Molecular Weight264.77 g/mol
Exact Mass264.06
IUPAC Name1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCC3(CCC3)O2)CC1
InChIInChI=1S/C11H17ClO3S/c12-16(13,14)11(6-7-11)8-9-2-5-10(15-9)3-1-4-10/h9H,1-8H2
InChIKeyRBZZRNXBVQWKQF-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490471
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111
1-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl chloride
CID 147458194
1-[(4,4-dimethyloxolan-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495279
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490453
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride (CID 165490406) is 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CC2CCC3(CCC3)O2)CC1.
What is the InChIKey of 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is RBZZRNXBVQWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO3S/c12-16(13,14)11(6-7-11)8-9-2-5-10(15-9)3-1-4-10/h9H,1-8H2.
What are the key properties of 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride?
1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 264.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).