4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol

C10H14N2O3S2 — CID 114811971

IUPAC4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCNS(=O)(=O)NCc1sccc1C#CCCO
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)12-8-10-9(5-7-16-10)4-2-3-6-13/h5,7,11-13H,3,6,8H2,1H3
InChIKeyBZKYHWHYKWEANO-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.04
Rot. Bonds5

About 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol

4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 114811971) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID114811971
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCNS(=O)(=O)NCc1sccc1C#CCCO
InChIInChI=1S/C10H14N2O3S2/c1-11-17(14,15)12-8-10-9(5-7-16-10)4-2-3-6-13/h5,7,11-13H,3,6,8H2,1H3
InChIKeyBZKYHWHYKWEANO-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine
CID 114812208
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62994665
methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate
CID 114465852
N-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002378
[3-[4-(methylamino)but-1-ynyl]thiophen-2-yl]methanol
CID 170463735
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361529
N-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 115825848
5-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]pentan-1-ol
CID 107203692
4-chloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106315632
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710419
3-(4-hydroxybut-1-ynyl)-N-[(1-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 114101672
N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342103

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol (CID 114811971) is 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol is CNS(=O)(=O)NCc1sccc1C#CCCO.
What is the InChIKey of 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is BZKYHWHYKWEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-11-17(14,15)12-8-10-9(5-7-16-10)4-2-3-6-13/h5,7,11-13H,3,6,8H2,1H3.
What are the key properties of 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 274.37 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 114811971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).