2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride

C11H21ClO3S — CID 106206659

IUPAC2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCCC1CC1)CS(=O)(=O)Cl
InChIInChI=1S/C11H21ClO3S/c1-2-3-11(9-16(12,13)14)8-15-7-6-10-4-5-10/h10-11H,2-9H2,1H3
InChIKeyWEVBYTLPNOZQLT-UHFFFAOYSA-N
MW268.81 g/mol
LogP2.79
Rot. Bonds9

About 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride

2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride (PubChem CID 106206659) has the molecular formula C11H21ClO3S and a molecular weight of 268.81 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
PubChem CID106206659
Molecular FormulaC11H21ClO3S
Molecular Weight268.81 g/mol
Exact Mass268.09
IUPAC Name2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCCC1CC1)CS(=O)(=O)Cl
InChIInChI=1S/C11H21ClO3S/c1-2-3-11(9-16(12,13)14)8-15-7-6-10-4-5-10/h10-11H,2-9H2,1H3
InChIKeyWEVBYTLPNOZQLT-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
CID 65012606
2-[(3,4-dimethylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
CID 65012862
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
CID 65013157
2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 103490993
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
2-(3,3-dimethylbutoxymethyl)pentane-1-sulfonamide
CID 66227328
2-(phenoxymethyl)pentane-1-sulfonyl chloride
CID 65012905

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride (CID 106206659) is 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride is CCCC(COCCC1CC1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is WEVBYTLPNOZQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO3S/c1-2-3-11(9-16(12,13)14)8-15-7-6-10-4-5-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride?
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 268.81 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 106206659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).