N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide

C9H20N2O3S — CID 115713368

IUPACN-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)C1CCOC1
InChIInChI=1S/C9H20N2O3S/c1-8(9-3-6-14-7-9)10-4-5-11-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyFQWJULAABBOUDD-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.45
Rot. Bonds6

About N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide (PubChem CID 115713368) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide
PubChem CID115713368
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)C1CCOC1
InChIInChI=1S/C9H20N2O3S/c1-8(9-3-6-14-7-9)10-4-5-11-15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyFQWJULAABBOUDD-UHFFFAOYSA-N
XLogP-0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide (CID 115713368) is N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)C1CCOC1.
What is the InChIKey of N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is FQWJULAABBOUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(9-3-6-14-7-9)10-4-5-11-15(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 115713368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).