2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide

C9H19NO4S — CID 66006743

IUPAC2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO4S/c1-2-14-3-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3
InChIKeyIPTJEALFYTUFJI-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.29
Rot. Bonds7

About 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide

2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide (PubChem CID 66006743) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
PubChem CID66006743
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO4S/c1-2-14-3-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3
InChIKeyIPTJEALFYTUFJI-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.29
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

N-[(3-bromocyclopentyl)methyl]-2-ethoxyethanesulfonamide
CID 106135009
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
2-ethoxy-N-[(6-methylpiperidin-3-yl)methyl]ethanesulfonamide
CID 63245786
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
3-[(ethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809646
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119647948
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide (CID 66006743) is 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide is CCOCCS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide?
The InChIKey is IPTJEALFYTUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-2-14-3-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3.
What are the key properties of 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide?
2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide has a molecular weight of 237.32 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide is sourced from PubChem (CID 66006743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).