N-(2-methylpropyl)ethynesulfonamide

C6H11NO2S — CID 168833771

IUPACN-(2-methylpropyl)ethynesulfonamide
SMILESC#CS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H11NO2S/c1-4-10(8,9)7-5-6(2)3/h1,6-7H,5H2,2-3H3
InChIKeyLNMYOWMFPVWRDQ-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.15
Rot. Bonds3

About N-(2-methylpropyl)ethynesulfonamide

N-(2-methylpropyl)ethynesulfonamide (PubChem CID 168833771) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(2-methylpropyl)ethynesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)ethynesulfonamide
PubChem CID168833771
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(2-methylpropyl)ethynesulfonamide
SMILESC#CS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H11NO2S/c1-4-10(8,9)7-5-6(2)3/h1,6-7H,5H2,2-3H3
InChIKeyLNMYOWMFPVWRDQ-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.15
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

N-(2-methylpropyl)methanesulfonamide
CID 4547916
N-(2-methylpropyl)ethanesulfonamide
CID 5159392
2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 21051522
Ethyl-tert-butyl-sulfonamide
CID 21703069
N-ethyl-2-methylpropane-1-sulfonamide
CID 21703071
2-methyl-N-propylpropane-2-sulfonamide
CID 22364465
N-(2-methylpropyl)-N-tritiomethanesulfonamide
CID 58821647
2-methyl-N-prop-2-ynylpropane-1-sulfonamide
CID 62734252
2-methyl-N-prop-2-ynylpropane-2-sulfonamide
CID 63687708
N-(3-aminopropyl)ethynesulfonamide
CID 118474791
N-butylethynesulfonamide
CID 118474793
N-propan-2-ylethynesulfonamide
CID 118474798

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)ethynesulfonamide?
The IUPAC name of N-(2-methylpropyl)ethynesulfonamide (CID 168833771) is N-(2-methylpropyl)ethynesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)ethynesulfonamide?
The canonical SMILES for N-(2-methylpropyl)ethynesulfonamide is C#CS(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)ethynesulfonamide?
The InChIKey is LNMYOWMFPVWRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-10(8,9)7-5-6(2)3/h1,6-7H,5H2,2-3H3.
What are the key properties of N-(2-methylpropyl)ethynesulfonamide?
N-(2-methylpropyl)ethynesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)ethynesulfonamide is sourced from PubChem (CID 168833771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).