N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide

C11H23NO4S — CID 110627609

IUPACN-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C11H23NO4S/c1-15-6-7-16-8-9-17(13,14)12-10-11-4-2-3-5-11/h11-12H,2-10H2,1H3
InChIKeyDFJSUNUHUVPJBW-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.76
Rot. Bonds9

About N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide

N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110627609) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110627609
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C11H23NO4S/c1-15-6-7-16-8-9-17(13,14)12-10-11-4-2-3-5-11/h11-12H,2-10H2,1H3
InChIKeyDFJSUNUHUVPJBW-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide (CID 110627609) is N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is DFJSUNUHUVPJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-15-6-7-16-8-9-17(13,14)12-10-11-4-2-3-5-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110627609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).