N-(3-ethoxypropyl)octane-1-sulfonamide

C13H28NO3S+ — CID 23387126

IUPACN-(3-ethoxypropyl)octane-1-sulfonamide
SMILES[CH2+]COCCCNS(=O)(=O)CCCCCCCC
InChIInChI=1S/C13H28NO3S/c1-3-5-6-7-8-9-13-18(15,16)14-11-10-12-17-4-2/h14H,2-13H2,1H3/q+1
InChIKeyWSIADWJACOIRPE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.51
Rot. Bonds13

About N-(3-ethoxypropyl)octane-1-sulfonamide

N-(3-ethoxypropyl)octane-1-sulfonamide (PubChem CID 23387126) has the molecular formula C13H28NO3S+ and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)octane-1-sulfonamide
PubChem CID23387126
Molecular FormulaC13H28NO3S+
Molecular Weight278.44 g/mol
Exact Mass278.18
IUPAC NameN-(3-ethoxypropyl)octane-1-sulfonamide
SMILES[CH2+]COCCCNS(=O)(=O)CCCCCCCC
InChIInChI=1S/C13H28NO3S/c1-3-5-6-7-8-9-13-18(15,16)14-11-10-12-17-4-2/h14H,2-13H2,1H3/q+1
InChIKeyWSIADWJACOIRPE-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-aminopropoxy)butoxy]propyl]hexadecane-1-sulfonamide
CID 16109576
Octanesulfonamido-ethanol
CID 133188356
N-(2-hydroxyethyl)-1-decanesulfonamide
CID 171981376
N-[3-[2-[2-[3-(octylsulfonylamino)propoxy]ethoxy]ethoxy]propyl]octane-1-sulfonamide
CID 20789901
N-[3-[3-(octylsulfonylamino)propoxy]propyl]octane-1-sulfonamide
CID 20789903
1-Aminoethyl dodecane-1-sulfonate
CID 57112697
2-Aminoethyl heptadecane-2-sulfonate
CID 57319638
N-(3-ethoxypropyl)propane-1-sulfonamide
CID 60643267
N-(3-methoxypropyl)propane-2-sulfonamide
CID 61360829
N-(2-hydroxyethyl)octane-1-sulfonamide
CID 85964563
3-(Methylamino)propyl decane-1-sulfonate
CID 88682066
Ethyl 1-aminododecane-1-sulfonate
CID 88798451

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)octane-1-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)octane-1-sulfonamide (CID 23387126) is N-(3-ethoxypropyl)octane-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)octane-1-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)octane-1-sulfonamide is [CH2+]COCCCNS(=O)(=O)CCCCCCCC.
What is the InChIKey of N-(3-ethoxypropyl)octane-1-sulfonamide?
The InChIKey is WSIADWJACOIRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO3S/c1-3-5-6-7-8-9-13-18(15,16)14-11-10-12-17-4-2/h14H,2-13H2,1H3/q+1.
What are the key properties of N-(3-ethoxypropyl)octane-1-sulfonamide?
N-(3-ethoxypropyl)octane-1-sulfonamide has a molecular weight of 278.44 g/mol, XLogP of 2.51, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)octane-1-sulfonamide is sourced from PubChem (CID 23387126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).