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

C12H16N2O3S2 — CID 114811885

IUPAC4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene
SMILESCN(Cc1csc(C#CCO)c1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H16N2O3S2/c1-14(19(16,17)13-11-4-5-11)8-10-7-12(18-9-10)3-2-6-15/h7,9,11,13,15H,4-6,8H2,1H3
InChIKeyJZLPTUCJZNKKME-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.52
Rot. Bonds5

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

4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene (PubChem CID 114811885) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene.

Molecular Properties

Compound Name4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene
PubChem CID114811885
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Name4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene
SMILESCN(Cc1csc(C#CCO)c1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H16N2O3S2/c1-14(19(16,17)13-11-4-5-11)8-10-7-12(18-9-10)3-2-6-15/h7,9,11,13,15H,4-6,8H2,1H3
InChIKeyJZLPTUCJZNKKME-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.52
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

3-cyclopropyl-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-1-methylurea
CID 55108146
(E)-3-[4-[[cyclopropylsulfamoyl(methyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 114812705
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64989411
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
2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959539
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 113374799
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107181324
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79762796
3-cyclobutyl-1-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-1-methylurea
CID 116658760
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
CID 54986619
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene?
The IUPAC name of 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene (CID 114811885) is 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene.
What is the SMILES notation for 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene?
The canonical SMILES for 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene is CN(Cc1csc(C#CCO)c1)S(=O)(=O)NC1CC1.
What is the InChIKey of 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene?
The InChIKey is JZLPTUCJZNKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-14(19(16,17)13-11-4-5-11)8-10-7-12(18-9-10)3-2-6-15/h7,9,11,13,15H,4-6,8H2,1H3.
What are the key properties of 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene?
4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene has a molecular weight of 300.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene is sourced from PubChem (CID 114811885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).