N-prop-1-ynylmethanesulfonamide

C4H7NO2S — CID 58244997

IUPACN-prop-1-ynylmethanesulfonamide
SMILESCC#CNS(C)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h5H,1-2H3
InChIKeyUPTCNXNEHJEAAS-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.48
Rot. Bonds1

About N-prop-1-ynylmethanesulfonamide

N-prop-1-ynylmethanesulfonamide (PubChem CID 58244997) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is N-prop-1-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-prop-1-ynylmethanesulfonamide
PubChem CID58244997
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC NameN-prop-1-ynylmethanesulfonamide
SMILESCC#CNS(C)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h5H,1-2H3
InChIKeyUPTCNXNEHJEAAS-UHFFFAOYSA-N
XLogP-0.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-prop-1-ynylmethanesulfonamide?
The IUPAC name of N-prop-1-ynylmethanesulfonamide (CID 58244997) is N-prop-1-ynylmethanesulfonamide.
What is the SMILES notation for N-prop-1-ynylmethanesulfonamide?
The canonical SMILES for N-prop-1-ynylmethanesulfonamide is CC#CNS(C)(=O)=O.
What is the InChIKey of N-prop-1-ynylmethanesulfonamide?
The InChIKey is UPTCNXNEHJEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h5H,1-2H3.
What are the key properties of N-prop-1-ynylmethanesulfonamide?
N-prop-1-ynylmethanesulfonamide has a molecular weight of 133.17 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-ynylmethanesulfonamide is sourced from PubChem (CID 58244997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).