3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide

C13H26N2O3S — CID 64865041

IUPAC3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
SMILESCCOC1CC(NCCCS(N)(=O)=O)C12CCCC2
InChIInChI=1S/C13H26N2O3S/c1-2-18-12-10-11(13(12)6-3-4-7-13)15-8-5-9-19(14,16)17/h11-12,15H,2-10H2,1H3,(H2,14,16,17)
InChIKeyIDVXAVFHFABOLT-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds7

About 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide

3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide (PubChem CID 64865041) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
PubChem CID64865041
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
SMILESCCOC1CC(NCCCS(N)(=O)=O)C12CCCC2
InChIInChI=1S/C13H26N2O3S/c1-2-18-12-10-11(13(12)6-3-4-7-13)15-8-5-9-19(14,16)17/h11-12,15H,2-10H2,1H3,(H2,14,16,17)
InChIKeyIDVXAVFHFABOLT-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
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

3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103921301
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide (CID 64865041) is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide is CCOC1CC(NCCCS(N)(=O)=O)C12CCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide?
The InChIKey is IDVXAVFHFABOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-18-12-10-11(13(12)6-3-4-7-13)15-8-5-9-19(14,16)17/h11-12,15H,2-10H2,1H3,(H2,14,16,17).
What are the key properties of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide?
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 64865041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).