N-(3-aminoprop-1-ynyl)methanesulfonamide

C4H8N2O2S — CID 87787312

IUPACN-(3-aminoprop-1-ynyl)methanesulfonamide
SMILESCS(=O)(=O)NC#CCN
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,3,5H2,1H3
InChIKeyBBECEWCYUWBZQK-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.54
Rot. Bonds1

About N-(3-aminoprop-1-ynyl)methanesulfonamide

N-(3-aminoprop-1-ynyl)methanesulfonamide (PubChem CID 87787312) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-(3-aminoprop-1-ynyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminoprop-1-ynyl)methanesulfonamide
PubChem CID87787312
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-(3-aminoprop-1-ynyl)methanesulfonamide
SMILESCS(=O)(=O)NC#CCN
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,3,5H2,1H3
InChIKeyBBECEWCYUWBZQK-UHFFFAOYSA-N
XLogP-1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminoprop-1-ynyl)methanesulfonamide?
The IUPAC name of N-(3-aminoprop-1-ynyl)methanesulfonamide (CID 87787312) is N-(3-aminoprop-1-ynyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminoprop-1-ynyl)methanesulfonamide?
The canonical SMILES for N-(3-aminoprop-1-ynyl)methanesulfonamide is CS(=O)(=O)NC#CCN.
What is the InChIKey of N-(3-aminoprop-1-ynyl)methanesulfonamide?
The InChIKey is BBECEWCYUWBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,3,5H2,1H3.
What are the key properties of N-(3-aminoprop-1-ynyl)methanesulfonamide?
N-(3-aminoprop-1-ynyl)methanesulfonamide has a molecular weight of 148.19 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-1-ynyl)methanesulfonamide is sourced from PubChem (CID 87787312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).