N-cyclohex-3-yn-1-ylmethanesulfonamide

C7H11NO2S — CID 87259959

IUPACN-cyclohex-3-yn-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC#CCC1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h7-8H,3,5-6H2,1H3
InChIKeyCKZJGQPLJUPJHE-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.09
Rot. Bonds2

About N-cyclohex-3-yn-1-ylmethanesulfonamide

N-cyclohex-3-yn-1-ylmethanesulfonamide (PubChem CID 87259959) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N-cyclohex-3-yn-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclohex-3-yn-1-ylmethanesulfonamide
PubChem CID87259959
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN-cyclohex-3-yn-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC#CCC1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h7-8H,3,5-6H2,1H3
InChIKeyCKZJGQPLJUPJHE-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-yn-1-ylmethanesulfonamide?
The IUPAC name of N-cyclohex-3-yn-1-ylmethanesulfonamide (CID 87259959) is N-cyclohex-3-yn-1-ylmethanesulfonamide.
What is the SMILES notation for N-cyclohex-3-yn-1-ylmethanesulfonamide?
The canonical SMILES for N-cyclohex-3-yn-1-ylmethanesulfonamide is CS(=O)(=O)NC1CC#CCC1.
What is the InChIKey of N-cyclohex-3-yn-1-ylmethanesulfonamide?
The InChIKey is CKZJGQPLJUPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h7-8H,3,5-6H2,1H3.
What are the key properties of N-cyclohex-3-yn-1-ylmethanesulfonamide?
N-cyclohex-3-yn-1-ylmethanesulfonamide 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 N-cyclohex-3-yn-1-ylmethanesulfonamide is sourced from PubChem (CID 87259959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).