2-ethoxypropylsulfamic acid

C5H13NO4S — CID 174221196

IUPAC2-ethoxypropylsulfamic acid
SMILESCCOC(C)CNS(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-3-10-5(2)4-6-11(7,8)9/h5-6H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyADDURALZAWLHKT-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.20
Rot. Bonds5

About 2-ethoxypropylsulfamic acid

2-ethoxypropylsulfamic acid (PubChem CID 174221196) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-ethoxypropylsulfamic acid.

Molecular Properties

Compound Name2-ethoxypropylsulfamic acid
PubChem CID174221196
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name2-ethoxypropylsulfamic acid
SMILESCCOC(C)CNS(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-3-10-5(2)4-6-11(7,8)9/h5-6H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyADDURALZAWLHKT-UHFFFAOYSA-N
XLogP-0.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 106078789
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
CID 103836092
3-ethoxybutane-1-sulfonic acid
CID 89375212
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
CID 113258209
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
methyl N-(2-ethoxypropyl)carbamate
CID 115649304

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropylsulfamic acid?
The IUPAC name of 2-ethoxypropylsulfamic acid (CID 174221196) is 2-ethoxypropylsulfamic acid.
What is the SMILES notation for 2-ethoxypropylsulfamic acid?
The canonical SMILES for 2-ethoxypropylsulfamic acid is CCOC(C)CNS(=O)(=O)O.
What is the InChIKey of 2-ethoxypropylsulfamic acid?
The InChIKey is ADDURALZAWLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-3-10-5(2)4-6-11(7,8)9/h5-6H,3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 2-ethoxypropylsulfamic acid?
2-ethoxypropylsulfamic acid has a molecular weight of 183.23 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropylsulfamic acid is sourced from PubChem (CID 174221196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).