2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride

C11H21ClO3S — CID 165492971

IUPAC2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride
SMILESCCC(C)(C)OCC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C11H21ClO3S/c1-4-11(2,3)15-7-10(9-5-6-9)8-16(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyFRWHNCSJISETJW-UHFFFAOYSA-N
MW268.81 g/mol
LogP2.79
Rot. Bonds7

About 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride

2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride (PubChem CID 165492971) has the molecular formula C11H21ClO3S and a molecular weight of 268.81 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride
PubChem CID165492971
Molecular FormulaC11H21ClO3S
Molecular Weight268.81 g/mol
Exact Mass268.09
IUPAC Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride
SMILESCCC(C)(C)OCC(CS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C11H21ClO3S/c1-4-11(2,3)15-7-10(9-5-6-9)8-16(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyFRWHNCSJISETJW-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
CID 165492969
2-cyclopropyl-2-methoxyethanesulfonyl chloride
CID 105451878
2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
pentan-3-ylcyclopropane
CID 19042038
1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane
CID 155392929
2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
CID 43537979
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
CID 125041504
2-cyclopropyl-2-methylpropane-1-sulfonyl chloride
CID 115020909
2-[(3,4-dimethylcyclohexyl)oxymethyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 65015374
2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
CID 165492272

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride?
The IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride (CID 165492971) is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride is CCC(C)(C)OCC(CS(=O)(=O)Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride?
The InChIKey is FRWHNCSJISETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO3S/c1-4-11(2,3)15-7-10(9-5-6-9)8-16(12,13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride?
2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride has a molecular weight of 268.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 165492971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).