N-propan-2-ylprop-1-yne-1-sulfonamide

C6H11NO2S — CID 162494750

IUPACN-propan-2-ylprop-1-yne-1-sulfonamide
SMILESCC#CS(=O)(=O)NC(C)C
InChIInChI=1S/C6H11NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,1-3H3
InChIKeyXUGUWUOYETYNOD-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.29
Rot. Bonds2

About N-propan-2-ylprop-1-yne-1-sulfonamide

N-propan-2-ylprop-1-yne-1-sulfonamide (PubChem CID 162494750) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-propan-2-ylprop-1-yne-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-ylprop-1-yne-1-sulfonamide
PubChem CID162494750
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-propan-2-ylprop-1-yne-1-sulfonamide
SMILESCC#CS(=O)(=O)NC(C)C
InChIInChI=1S/C6H11NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,1-3H3
InChIKeyXUGUWUOYETYNOD-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.29
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

2-[tert-butyl(propan-2-ylsulfamoyl)amino]-2-methylpropane
CID 58613885
1-chloro-N-propan-2-ylethanesulfonamide
CID 171409821
2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide
CID 167548657
(Z)-2-cyano-N-propan-2-ylethenesulfonamide
CID 162494689
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
1-cyano-1-[methyl(propan-2-ylsulfamoyl)amino]ethane
CID 114807797
2-[[cyanomethyl(propan-2-yl)sulfamoyl]amino]propane
CID 114807954
2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807678
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
3-methyl-N-propan-2-ylcyclobutane-1-sulfonamide
CID 164963614
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
2,2-dimethyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 57355566

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylprop-1-yne-1-sulfonamide?
The IUPAC name of N-propan-2-ylprop-1-yne-1-sulfonamide (CID 162494750) is N-propan-2-ylprop-1-yne-1-sulfonamide.
What is the SMILES notation for N-propan-2-ylprop-1-yne-1-sulfonamide?
The canonical SMILES for N-propan-2-ylprop-1-yne-1-sulfonamide is CC#CS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylprop-1-yne-1-sulfonamide?
The InChIKey is XUGUWUOYETYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,1-3H3.
What are the key properties of N-propan-2-ylprop-1-yne-1-sulfonamide?
N-propan-2-ylprop-1-yne-1-sulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-1-yne-1-sulfonamide is sourced from PubChem (CID 162494750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).