2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene

C9H13N3O2S2 — CID 114959539

IUPAC2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene
SMILESCN(Cc1csc(C#CCN)c1)S(N)(=O)=O
InChIInChI=1S/C9H13N3O2S2/c1-12(16(11,13)14)6-8-5-9(15-7-8)3-2-4-10/h5,7H,4,6,10H2,1H3,(H2,11,13,14)
InChIKeyYWJXHTFGVCVMIE-UHFFFAOYSA-N
MW259.36 g/mol
LogP-0.31
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene

2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene (PubChem CID 114959539) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene
PubChem CID114959539
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene
SMILESCN(Cc1csc(C#CCN)c1)S(N)(=O)=O
InChIInChI=1S/C9H13N3O2S2/c1-12(16(11,13)14)6-8-5-9(15-7-8)3-2-4-10/h5,7H,4,6,10H2,1H3,(H2,11,13,14)
InChIKeyYWJXHTFGVCVMIE-UHFFFAOYSA-N
XLogP-0.31
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64989411
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N,3,3-trimethylbutane-1-sulfonamide
CID 103521598
2-(3-aminoprop-1-ynyl)-4-[[methyl(propylsulfamoyl)amino]methyl]thiophene
CID 114812159
2-(3-aminoprop-1-ynyl)-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]thiophene
CID 114812155
4-(3-aminoprop-1-ynyl)-2-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959540
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520992
ethyl N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methylcarbamate
CID 54986771
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54986864
4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene
CID 114811885
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335284
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107181410
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene (CID 114959539) is 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene is CN(Cc1csc(C#CCN)c1)S(N)(=O)=O.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene?
The InChIKey is YWJXHTFGVCVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-12(16(11,13)14)6-8-5-9(15-7-8)3-2-4-10/h5,7H,4,6,10H2,1H3,(H2,11,13,14).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene?
2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene has a molecular weight of 259.36 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene is sourced from PubChem (CID 114959539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).