4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene

C10H14N2O3S2 — CID 114811900

IUPAC4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene
SMILESCNS(=O)(=O)N(C)Cc1cc(C#CCO)cs1
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)12(2)7-10-6-9(8-16-10)4-3-5-13/h6,8,11,13H,5,7H2,1-2H3
InChIKeyOVOUFSNZDVBXEH-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.01
Rot. Bonds4

About 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene

4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene (PubChem CID 114811900) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene
PubChem CID114811900
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene
SMILESCNS(=O)(=O)N(C)Cc1cc(C#CCO)cs1
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)12(2)7-10-6-9(8-16-10)4-3-5-13/h6,8,11,13H,5,7H2,1-2H3
InChIKeyOVOUFSNZDVBXEH-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.01
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

4-(3-hydroxyprop-1-ynyl)-2-[[2-methoxyethylsulfamoyl(methyl)amino]methyl]thiophene
CID 114816444
ethyl N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl-methylsulfamoyl]carbamate
CID 114465712
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82842277
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methylbutane-1-sulfonamide
CID 54984326
4-(3-aminoprop-1-ynyl)-2-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959540
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209897
3-[5-[[bis(3-methylbutyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 107870871
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylsulfonylpropanamide
CID 104520948
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N,3,4,4-tetramethylpentanamide
CID 63832419
3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 114816456
3-[5-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131907404
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N,2-dimethylcyclopentane-1-carboxamide
CID 107181326

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene?
The IUPAC name of 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene (CID 114811900) is 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene.
What is the SMILES notation for 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene?
The canonical SMILES for 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene is CNS(=O)(=O)N(C)Cc1cc(C#CCO)cs1.
What is the InChIKey of 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene?
The InChIKey is OVOUFSNZDVBXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-11-17(14,15)12(2)7-10-6-9(8-16-10)4-3-5-13/h6,8,11,13H,5,7H2,1-2H3.
What are the key properties of 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene?
4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene has a molecular weight of 274.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene is sourced from PubChem (CID 114811900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).