1-ethynyl-N-methylcyclopropane-1-sulfonamide

C6H9NO2S — CID 155821776

IUPAC1-ethynyl-N-methylcyclopropane-1-sulfonamide
SMILESC#CC1(S(=O)(=O)NC)CC1
InChIInChI=1S/C6H9NO2S/c1-3-6(4-5-6)10(8,9)7-2/h1,7H,4-5H2,2H3
InChIKeyOGUSOEFXWQUIMJ-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.30
Rot. Bonds2

About 1-ethynyl-N-methylcyclopropane-1-sulfonamide

1-ethynyl-N-methylcyclopropane-1-sulfonamide (PubChem CID 155821776) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-ethynyl-N-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-ethynyl-N-methylcyclopropane-1-sulfonamide
PubChem CID155821776
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-ethynyl-N-methylcyclopropane-1-sulfonamide
SMILESC#CC1(S(=O)(=O)NC)CC1
InChIInChI=1S/C6H9NO2S/c1-3-6(4-5-6)10(8,9)7-2/h1,7H,4-5H2,2H3
InChIKeyOGUSOEFXWQUIMJ-UHFFFAOYSA-N
XLogP-0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.30
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 1-ethynyl-N-methylcyclopropane-1-sulfonamide?
The IUPAC name of 1-ethynyl-N-methylcyclopropane-1-sulfonamide (CID 155821776) is 1-ethynyl-N-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-ethynyl-N-methylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-ethynyl-N-methylcyclopropane-1-sulfonamide is C#CC1(S(=O)(=O)NC)CC1.
What is the InChIKey of 1-ethynyl-N-methylcyclopropane-1-sulfonamide?
The InChIKey is OGUSOEFXWQUIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-3-6(4-5-6)10(8,9)7-2/h1,7H,4-5H2,2H3.
What are the key properties of 1-ethynyl-N-methylcyclopropane-1-sulfonamide?
1-ethynyl-N-methylcyclopropane-1-sulfonamide has a molecular weight of 159.21 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-N-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 155821776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).