N-(3-sulfamoylpropyl)prop-2-ynamide

C6H10N2O3S — CID 61132242

IUPACN-(3-sulfamoylpropyl)prop-2-ynamide
SMILESC#CC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-2-6(9)8-4-3-5-12(7,10)11/h1H,3-5H2,(H,8,9)(H2,7,10,11)
InChIKeyWUJYLCYBCZEYKZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-1.59
Rot. Bonds4

About N-(3-sulfamoylpropyl)prop-2-ynamide

N-(3-sulfamoylpropyl)prop-2-ynamide (PubChem CID 61132242) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)prop-2-ynamide
PubChem CID61132242
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC NameN-(3-sulfamoylpropyl)prop-2-ynamide
SMILESC#CC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-2-6(9)8-4-3-5-12(7,10)11/h1H,3-5H2,(H,8,9)(H2,7,10,11)
InChIKeyWUJYLCYBCZEYKZ-UHFFFAOYSA-N
XLogP-1.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
CID 76927870
N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N-(5-oxopentyl)prop-2-ynamide
CID 166777638
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
CID 89152541

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)prop-2-ynamide?
The IUPAC name of N-(3-sulfamoylpropyl)prop-2-ynamide (CID 61132242) is N-(3-sulfamoylpropyl)prop-2-ynamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)prop-2-ynamide?
The canonical SMILES for N-(3-sulfamoylpropyl)prop-2-ynamide is C#CC(=O)NCCCS(N)(=O)=O.
What is the InChIKey of N-(3-sulfamoylpropyl)prop-2-ynamide?
The InChIKey is WUJYLCYBCZEYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-2-6(9)8-4-3-5-12(7,10)11/h1H,3-5H2,(H,8,9)(H2,7,10,11).
What are the key properties of N-(3-sulfamoylpropyl)prop-2-ynamide?
N-(3-sulfamoylpropyl)prop-2-ynamide has a molecular weight of 190.22 g/mol, XLogP of -1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)prop-2-ynamide is sourced from PubChem (CID 61132242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).