N-(3-aminopropyl)ethynesulfonamide

C5H10N2O2S — CID 118474791

IUPACN-(3-aminopropyl)ethynesulfonamide
SMILESC#CS(=O)(=O)NCCCN
InChIInChI=1S/C5H10N2O2S/c1-2-10(8,9)7-5-3-4-6/h1,7H,3-6H2
InChIKeyGOOPCRFLPLIBOH-UHFFFAOYSA-N
MW162.21 g/mol
LogP-1.15
Rot. Bonds4

About N-(3-aminopropyl)ethynesulfonamide

N-(3-aminopropyl)ethynesulfonamide (PubChem CID 118474791) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(3-aminopropyl)ethynesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)ethynesulfonamide
PubChem CID118474791
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(3-aminopropyl)ethynesulfonamide
SMILESC#CS(=O)(=O)NCCCN
InChIInChI=1S/C5H10N2O2S/c1-2-10(8,9)7-5-3-4-6/h1,7H,3-6H2
InChIKeyGOOPCRFLPLIBOH-UHFFFAOYSA-N
XLogP-1.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butylethynesulfonamide
CID 118474793
N-propan-2-ylethynesulfonamide
CID 118474798
N-[3-(dimethylamino)propyl]ethynesulfonamide
CID 123562809
N-(2-methylpropyl)ethynesulfonamide
CID 168833771
2-amino-N-(3-aminopropyl)ethanesulfonamide
CID 174282516

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)ethynesulfonamide?
The IUPAC name of N-(3-aminopropyl)ethynesulfonamide (CID 118474791) is N-(3-aminopropyl)ethynesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)ethynesulfonamide?
The canonical SMILES for N-(3-aminopropyl)ethynesulfonamide is C#CS(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)ethynesulfonamide?
The InChIKey is GOOPCRFLPLIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-2-10(8,9)7-5-3-4-6/h1,7H,3-6H2.
What are the key properties of N-(3-aminopropyl)ethynesulfonamide?
N-(3-aminopropyl)ethynesulfonamide has a molecular weight of 162.21 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)ethynesulfonamide is sourced from PubChem (CID 118474791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).