1-ethynyl-N-methylcyclobutane-1-sulfonamide

C7H11NO2S — CID 165478705

IUPAC1-ethynyl-N-methylcyclobutane-1-sulfonamide
SMILESC#CC1(S(=O)(=O)NC)CCC1
InChIInChI=1S/C7H11NO2S/c1-3-7(5-4-6-7)11(9,10)8-2/h1,8H,4-6H2,2H3
InChIKeyBJVMIYYKWCHBDT-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.09
Rot. Bonds2

About 1-ethynyl-N-methylcyclobutane-1-sulfonamide

1-ethynyl-N-methylcyclobutane-1-sulfonamide (PubChem CID 165478705) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-ethynyl-N-methylcyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-ethynyl-N-methylcyclobutane-1-sulfonamide
PubChem CID165478705
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-ethynyl-N-methylcyclobutane-1-sulfonamide
SMILESC#CC1(S(=O)(=O)NC)CCC1
InChIInChI=1S/C7H11NO2S/c1-3-7(5-4-6-7)11(9,10)8-2/h1,8H,4-6H2,2H3
InChIKeyBJVMIYYKWCHBDT-UHFFFAOYSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-1-methylsulfonylcyclobutane
CID 155977808
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810378
1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304810
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide
CID 167273278
1-ethynyl-1-methylcyclononane;methane
CID 158932279
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
bis(1-ethynylcyclohexan-1-amine);sulfuric acid
CID 163330819
methyl 2-(1-ethynylcyclopentyl)oxyacetate
CID 18000984
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-N-methylcyclobutane-1-sulfonamide?
The IUPAC name of 1-ethynyl-N-methylcyclobutane-1-sulfonamide (CID 165478705) is 1-ethynyl-N-methylcyclobutane-1-sulfonamide.
What is the SMILES notation for 1-ethynyl-N-methylcyclobutane-1-sulfonamide?
The canonical SMILES for 1-ethynyl-N-methylcyclobutane-1-sulfonamide is C#CC1(S(=O)(=O)NC)CCC1.
What is the InChIKey of 1-ethynyl-N-methylcyclobutane-1-sulfonamide?
The InChIKey is BJVMIYYKWCHBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-7(5-4-6-7)11(9,10)8-2/h1,8H,4-6H2,2H3.
What are the key properties of 1-ethynyl-N-methylcyclobutane-1-sulfonamide?
1-ethynyl-N-methylcyclobutane-1-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-N-methylcyclobutane-1-sulfonamide is sourced from PubChem (CID 165478705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).