2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene

C13H18N2O3S2 — CID 84589582

IUPAC2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
SMILESCCN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C13H18N2O3S2/c1-3-15(2)20(17,18)14-9-11(16)13-8-10-6-4-5-7-12(10)19-13/h4-8,11,14,16H,3,9H2,1-2H3
InChIKeyMUVMPNCZLRCRJJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene

2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene (PubChem CID 84589582) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
PubChem CID84589582
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
SMILESCCN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C13H18N2O3S2/c1-3-15(2)20(17,18)14-9-11(16)13-8-10-6-4-5-7-12(10)19-13/h4-8,11,14,16H,3,9H2,1-2H3
InChIKeyMUVMPNCZLRCRJJ-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(1-benzothiophen-2-yl)ethan-1-ol
CID 2756344
Benzo(b)thiophene-3-methanol, alpha-(pyrrolidinomethyl)-, hydrochloride
CID 23800
1-(1-Benzothiophen-3-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23864
Benzo(b)thiophene-2-methanol, alpha-((2-(methylamino)ethoxy)methyl)-, hydrochloride
CID 3076662
2-[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
(1S)-2-amino-1-(1-benzothiophen-2-yl)ethan-1-ol hydrochloride
CID 132398930
1-(5-Fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol
CID 141110771
1-(1-Benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol
CID 171632769
2-Methyl-3-(alpha-hydroxy-beta-amino-athyl)-benzo[b]thiophene
CID 116987511
1-(1-Benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol
CID 3076663
(1S)-2-Amino-1-(1-benzothiophen-2-yl)ethan-1-ol
CID 7144865
2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1-benzothiophene-3-sulfonamide
CID 65738213

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene?
The IUPAC name of 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene (CID 84589582) is 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene.
What is the SMILES notation for 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene?
The canonical SMILES for 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene is CCN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1.
What is the InChIKey of 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene?
The InChIKey is MUVMPNCZLRCRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-15(2)20(17,18)14-9-11(16)13-8-10-6-4-5-7-12(10)19-13/h4-8,11,14,16H,3,9H2,1-2H3.
What are the key properties of 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene?
2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene has a molecular weight of 314.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene is sourced from PubChem (CID 84589582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).