2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide

C8H20N2O3S — CID 63245767

IUPAC2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCNC
InChIInChI=1S/C8H20N2O3S/c1-3-13-7-8-14(11,12)10-6-4-5-9-2/h9-10H,3-8H2,1-2H3
InChIKeyGCQUMWUWDHFRRZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.45
Rot. Bonds9

About 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide

2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide (PubChem CID 63245767) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
PubChem CID63245767
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCNC
InChIInChI=1S/C8H20N2O3S/c1-3-13-7-8-14(11,12)10-6-4-5-9-2/h9-10H,3-8H2,1-2H3
InChIKeyGCQUMWUWDHFRRZ-UHFFFAOYSA-N
XLogP-0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
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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Related Compounds

2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
CID 103834355
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
N-[3-[2-(2-methoxyethoxy)ethylsulfonylamino]propyl]acetamide
CID 110630773
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide (CID 63245767) is 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide is CCOCCS(=O)(=O)NCCCNC.
What is the InChIKey of 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide?
The InChIKey is GCQUMWUWDHFRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-3-13-7-8-14(11,12)10-6-4-5-9-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide?
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 63245767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).