N-prop-2-ynylmethanesulfonamide

C4H7NO2S — CID 14025440

IUPACN-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(C)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h1,5H,4H2,2H3
InChIKeyARSQCIRDYSOFEN-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.83
Rot. Bonds2

About N-prop-2-ynylmethanesulfonamide

N-prop-2-ynylmethanesulfonamide (PubChem CID 14025440) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-prop-2-ynylmethanesulfonamide
PubChem CID14025440
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC NameN-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(C)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h1,5H,4H2,2H3
InChIKeyARSQCIRDYSOFEN-UHFFFAOYSA-N
XLogP-0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.83
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-ynylmethanesulfonamide?
The IUPAC name of N-prop-2-ynylmethanesulfonamide (CID 14025440) is N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for N-prop-2-ynylmethanesulfonamide is C#CCNS(C)(=O)=O.
What is the InChIKey of N-prop-2-ynylmethanesulfonamide?
The InChIKey is ARSQCIRDYSOFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h1,5H,4H2,2H3.
What are the key properties of N-prop-2-ynylmethanesulfonamide?
N-prop-2-ynylmethanesulfonamide has a molecular weight of 133.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 14025440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).