N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide

C9H19NO3S — CID 62045787

IUPACN-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)CC
InChIInChI=1S/C9H19NO3S/c1-3-10(14(11,12)4-2)7-9-5-6-13-8-9/h9H,3-8H2,1-2H3
InChIKeyZDVGKNQYTGGGIA-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.69
Rot. Bonds5

About N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide

N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide (PubChem CID 62045787) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
PubChem CID62045787
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)CC
InChIInChI=1S/C9H19NO3S/c1-3-10(14(11,12)4-2)7-9-5-6-13-8-9/h9H,3-8H2,1-2H3
InChIKeyZDVGKNQYTGGGIA-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide (CID 62045787) is N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide is CCN(CC1CCOC1)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide?
The InChIKey is ZDVGKNQYTGGGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-10(14(11,12)4-2)7-9-5-6-13-8-9/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide?
N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 62045787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).