N-prop-2-ynylethanesulfonamide

C5H9NO2S — CID 54208581

IUPACN-prop-2-ynylethanesulfonamide
SMILESC#CCNS(=O)(=O)CC
InChIInChI=1S/C5H9NO2S/c1-3-5-6-9(7,8)4-2/h1,6H,4-5H2,2H3
InChIKeyKMLHBTGILXWYGG-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.44
Rot. Bonds3

About N-prop-2-ynylethanesulfonamide

N-prop-2-ynylethanesulfonamide (PubChem CID 54208581) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-prop-2-ynylethanesulfonamide.

Molecular Properties

Compound NameN-prop-2-ynylethanesulfonamide
PubChem CID54208581
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-prop-2-ynylethanesulfonamide
SMILESC#CCNS(=O)(=O)CC
InChIInChI=1S/C5H9NO2S/c1-3-5-6-9(7,8)4-2/h1,6H,4-5H2,2H3
InChIKeyKMLHBTGILXWYGG-UHFFFAOYSA-N
XLogP-0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylethanesulfonamide?
The IUPAC name of N-prop-2-ynylethanesulfonamide (CID 54208581) is N-prop-2-ynylethanesulfonamide.
What is the SMILES notation for N-prop-2-ynylethanesulfonamide?
The canonical SMILES for N-prop-2-ynylethanesulfonamide is C#CCNS(=O)(=O)CC.
What is the InChIKey of N-prop-2-ynylethanesulfonamide?
The InChIKey is KMLHBTGILXWYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-3-5-6-9(7,8)4-2/h1,6H,4-5H2,2H3.
What are the key properties of N-prop-2-ynylethanesulfonamide?
N-prop-2-ynylethanesulfonamide has a molecular weight of 147.20 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylethanesulfonamide is sourced from PubChem (CID 54208581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).