N-(2-methylpropyl)prop-1-yne-1-sulfonamide

C7H13NO2S — CID 168833670

IUPACN-(2-methylpropyl)prop-1-yne-1-sulfonamide
SMILESCC#CS(=O)(=O)NCC(C)C
InChIInChI=1S/C7H13NO2S/c1-4-5-11(9,10)8-6-7(2)3/h7-8H,6H2,1-3H3
InChIKeyCHQNTICMFRJTRK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.54
Rot. Bonds3

About N-(2-methylpropyl)prop-1-yne-1-sulfonamide

N-(2-methylpropyl)prop-1-yne-1-sulfonamide (PubChem CID 168833670) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2-methylpropyl)prop-1-yne-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)prop-1-yne-1-sulfonamide
PubChem CID168833670
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-(2-methylpropyl)prop-1-yne-1-sulfonamide
SMILESCC#CS(=O)(=O)NCC(C)C
InChIInChI=1S/C7H13NO2S/c1-4-5-11(9,10)8-6-7(2)3/h7-8H,6H2,1-3H3
InChIKeyCHQNTICMFRJTRK-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.54
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
8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide
CID 20761076
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-butylethynesulfonamide
CID 118474793
N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide
CID 149182580

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)prop-1-yne-1-sulfonamide?
The IUPAC name of N-(2-methylpropyl)prop-1-yne-1-sulfonamide (CID 168833670) is N-(2-methylpropyl)prop-1-yne-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)prop-1-yne-1-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)prop-1-yne-1-sulfonamide is CC#CS(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)prop-1-yne-1-sulfonamide?
The InChIKey is CHQNTICMFRJTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-5-11(9,10)8-6-7(2)3/h7-8H,6H2,1-3H3.
What are the key properties of N-(2-methylpropyl)prop-1-yne-1-sulfonamide?
N-(2-methylpropyl)prop-1-yne-1-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)prop-1-yne-1-sulfonamide is sourced from PubChem (CID 168833670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).