N-ethyl-1-(oxolan-2-yl)methanesulfonamide

C7H15NO3S — CID 62732744

IUPACN-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H15NO3S/c1-2-8-12(9,10)6-7-4-3-5-11-7/h7-8H,2-6H2,1H3
InChIKeyXIMROPDLIIBVRD-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.10
Rot. Bonds4

About N-ethyl-1-(oxolan-2-yl)methanesulfonamide

N-ethyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62732744) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62732744
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H15NO3S/c1-2-8-12(9,10)6-7-4-3-5-11-7/h7-8H,2-6H2,1H3
InChIKeyXIMROPDLIIBVRD-UHFFFAOYSA-N
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)methanesulfonamide (CID 62732744) is N-ethyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)methanesulfonamide is CCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XIMROPDLIIBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-8-12(9,10)6-7-4-3-5-11-7/h7-8H,2-6H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
N-ethyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62732744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).