2-(cyclopentylmethoxy)propane-1-sulfonyl chloride

C9H17ClO3S — CID 164842569

IUPAC2-(cyclopentylmethoxy)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)OCC1CCCC1
InChIInChI=1S/C9H17ClO3S/c1-8(7-14(10,11)12)13-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeyXJFDQYCSBULTSQ-UHFFFAOYSA-N
MW240.75 g/mol
LogP2.15
Rot. Bonds5

About 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride

2-(cyclopentylmethoxy)propane-1-sulfonyl chloride (PubChem CID 164842569) has the molecular formula C9H17ClO3S and a molecular weight of 240.75 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)propane-1-sulfonyl chloride
PubChem CID164842569
Molecular FormulaC9H17ClO3S
Molecular Weight240.75 g/mol
Exact Mass240.06
IUPAC Name2-(cyclopentylmethoxy)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)OCC1CCCC1
InChIInChI=1S/C9H17ClO3S/c1-8(7-14(10,11)12)13-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeyXJFDQYCSBULTSQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride?
The IUPAC name of 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride (CID 164842569) is 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride?
The InChIKey is XJFDQYCSBULTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO3S/c1-8(7-14(10,11)12)13-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride?
2-(cyclopentylmethoxy)propane-1-sulfonyl chloride has a molecular weight of 240.75 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 164842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).