2-(cyclopentyloxymethyl)butane-1-sulfonamide

C10H21NO3S — CID 64999885

IUPAC2-(cyclopentyloxymethyl)butane-1-sulfonamide
SMILESCCC(COC1CCCC1)CS(N)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-2-9(8-15(11,12)13)7-14-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,11,12,13)
InChIKeyFQXREPDHTOQAFU-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.26
Rot. Bonds6

About 2-(cyclopentyloxymethyl)butane-1-sulfonamide

2-(cyclopentyloxymethyl)butane-1-sulfonamide (PubChem CID 64999885) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)butane-1-sulfonamide
PubChem CID64999885
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(cyclopentyloxymethyl)butane-1-sulfonamide
SMILESCCC(COC1CCCC1)CS(N)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-2-9(8-15(11,12)13)7-14-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,11,12,13)
InChIKeyFQXREPDHTOQAFU-UHFFFAOYSA-N
XLogP1.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(cyclopentyloxymethyl)butane-1-sulfonamide (CID 64999885) is 2-(cyclopentyloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(cyclopentyloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(cyclopentyloxymethyl)butane-1-sulfonamide is CCC(COC1CCCC1)CS(N)(=O)=O.
What is the InChIKey of 2-(cyclopentyloxymethyl)butane-1-sulfonamide?
The InChIKey is FQXREPDHTOQAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-9(8-15(11,12)13)7-14-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 2-(cyclopentyloxymethyl)butane-1-sulfonamide?
2-(cyclopentyloxymethyl)butane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 64999885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).