N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide

C10H21NO4S — CID 176560012

IUPACN-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide
SMILESCCOCCNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C10H21NO4S/c1-2-14-8-5-11-16(12,13)9-10-3-6-15-7-4-10/h10-11H,2-9H2,1H3
InChIKeyAVGQGYRKWQDNPQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.37
Rot. Bonds7

About N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide

N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide (PubChem CID 176560012) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide
PubChem CID176560012
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide
SMILESCCOCCNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C10H21NO4S/c1-2-14-8-5-11-16(12,13)9-10-3-6-15-7-4-10/h10-11H,2-9H2,1H3
InChIKeyAVGQGYRKWQDNPQ-UHFFFAOYSA-N
XLogP0.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.37
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-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide (CID 176560012) is N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide is CCOCCNS(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is AVGQGYRKWQDNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-2-14-8-5-11-16(12,13)9-10-3-6-15-7-4-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide?
N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 176560012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).