N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide

C9H22N2O4S — CID 81095053

IUPACN-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
SMILESCCOC(CNCCNS(C)(=O)=O)OCC
InChIInChI=1S/C9H22N2O4S/c1-4-14-9(15-5-2)8-10-6-7-11-16(3,12)13/h9-11H,4-8H2,1-3H3
InChIKeyOEZZLIRWHYDTCR-UHFFFAOYSA-N
MW254.35 g/mol
LogP-0.48
Rot. Bonds10

About N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide

N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide (PubChem CID 81095053) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
PubChem CID81095053
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC NameN-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
SMILESCCOC(CNCCNS(C)(=O)=O)OCC
InChIInChI=1S/C9H22N2O4S/c1-4-14-9(15-5-2)8-10-6-7-11-16(3,12)13/h9-11H,4-8H2,1-3H3
InChIKeyOEZZLIRWHYDTCR-UHFFFAOYSA-N
XLogP-0.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide (CID 81095053) is N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide is CCOC(CNCCNS(C)(=O)=O)OCC.
What is the InChIKey of N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide?
The InChIKey is OEZZLIRWHYDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S/c1-4-14-9(15-5-2)8-10-6-7-11-16(3,12)13/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide?
N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of -0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 81095053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).