N-(3-aminopropyl)ethanesulfonamide

C5H14N2O2S — CID 24702447

IUPACN-(3-aminopropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN
InChIInChI=1S/C5H14N2O2S/c1-2-10(8,9)7-5-3-4-6/h7H,2-6H2,1H3
InChIKeyPWSIXFIPDREORV-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.73
Rot. Bonds5

About N-(3-aminopropyl)ethanesulfonamide

N-(3-aminopropyl)ethanesulfonamide (PubChem CID 24702447) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(3-aminopropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)ethanesulfonamide
PubChem CID24702447
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(3-aminopropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN
InChIInChI=1S/C5H14N2O2S/c1-2-10(8,9)7-5-3-4-6/h7H,2-6H2,1H3
InChIKeyPWSIXFIPDREORV-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)ethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)ethanesulfonamide (CID 24702447) is N-(3-aminopropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)ethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)ethanesulfonamide is CCS(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)ethanesulfonamide?
The InChIKey is PWSIXFIPDREORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-2-10(8,9)7-5-3-4-6/h7H,2-6H2,1H3.
What are the key properties of N-(3-aminopropyl)ethanesulfonamide?
N-(3-aminopropyl)ethanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)ethanesulfonamide is sourced from PubChem (CID 24702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).