N-propan-2-ylethynesulfonamide

C5H9NO2S — CID 118474798

IUPACN-propan-2-ylethynesulfonamide
SMILESC#CS(=O)(=O)NC(C)C
InChIInChI=1S/C5H9NO2S/c1-4-9(7,8)6-5(2)3/h1,5-6H,2-3H3
InChIKeyPCFMXIDIIRBQSJ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.10
Rot. Bonds2

About N-propan-2-ylethynesulfonamide

N-propan-2-ylethynesulfonamide (PubChem CID 118474798) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-propan-2-ylethynesulfonamide.

Molecular Properties

Compound NameN-propan-2-ylethynesulfonamide
PubChem CID118474798
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-propan-2-ylethynesulfonamide
SMILESC#CS(=O)(=O)NC(C)C
InChIInChI=1S/C5H9NO2S/c1-4-9(7,8)6-5(2)3/h1,5-6H,2-3H3
InChIKeyPCFMXIDIIRBQSJ-UHFFFAOYSA-N
XLogP-0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.10
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-(propan-2-yl)methanesulfonamide
CID 312702
N-(1-Methylpropyl)methanesulfonamide
CID 4075930
N-propan-2-ylethanesulfonamide
CID 4177239
N-butan-2-ylethanesulfonamide
CID 5091177
N-(pentan-3-yl)methanesulfonamide
CID 5157236
N-propan-2-ylpropane-2-sulfonamide
CID 19021602
N-propan-2-ylpropane-1-sulfonamide
CID 21043968
2-methyl-N-propan-2-ylpropane-2-sulfonamide
CID 57698838
N-propan-2-ylhepta-2,4,6-triyne-1-sulfonamide
CID 59140093
CID 88791243
CID 88791243
N-[(2R)-butan-2-yl]methanesulfonamide
CID 89051295
N-(3-aminopropyl)ethynesulfonamide
CID 118474791

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylethynesulfonamide?
The IUPAC name of N-propan-2-ylethynesulfonamide (CID 118474798) is N-propan-2-ylethynesulfonamide.
What is the SMILES notation for N-propan-2-ylethynesulfonamide?
The canonical SMILES for N-propan-2-ylethynesulfonamide is C#CS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylethynesulfonamide?
The InChIKey is PCFMXIDIIRBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4-9(7,8)6-5(2)3/h1,5-6H,2-3H3.
What are the key properties of N-propan-2-ylethynesulfonamide?
N-propan-2-ylethynesulfonamide has a molecular weight of 147.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylethynesulfonamide is sourced from PubChem (CID 118474798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).