5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene

C13H18N2O2S2 — CID 131900878

IUPAC5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene
SMILESCC(C)N(C)S(=O)(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C13H18N2O2S2/c1-10(2)15(3)19(16,17)14-9-11-4-5-13-12(8-11)6-7-18-13/h4-8,10,14H,9H2,1-3H3
InChIKeyHYEONAILHHQLEN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.58
Rot. Bonds5

About 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene

5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene (PubChem CID 131900878) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene.

Molecular Properties

Compound Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene
PubChem CID131900878
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene
SMILESCC(C)N(C)S(=O)(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C13H18N2O2S2/c1-10(2)15(3)19(16,17)14-9-11-4-5-13-12(8-11)6-7-18-13/h4-8,10,14H,9H2,1-3H3
InChIKeyHYEONAILHHQLEN-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 65032301
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
(4S)-4-(1-benzothiophen-5-ylmethylamino)-2-methylpentan-2-ol
CID 95124233
1-benzothiophen-5-ylmethanesulfonyl chloride
CID 11322580
3-[1-benzothiophen-5-ylmethylcarbamoyl(methyl)amino]propanoic acid
CID 122014671
N-[(2S)-1-(1-benzothiophen-5-ylmethylsulfonyl)-4,4-dimethylpentan-2-yl]-N-hydroxyformamide
CID 10109667
3-[4-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]phenyl]prop-2-enoic acid
CID 76906712
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
N-[(1R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(3-methylthiophen-2-yl)ethyl]-N-hydroxyformamide
CID 10135329
tert-butyl N-[(2S)-1-(1-benzothiophen-5-yl)propan-2-yl]-N-methylcarbamate
CID 168763872
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719

Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene?
The IUPAC name of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene (CID 131900878) is 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene.
What is the SMILES notation for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene?
The canonical SMILES for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene is CC(C)N(C)S(=O)(=O)NCc1ccc2sccc2c1.
What is the InChIKey of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene?
The InChIKey is HYEONAILHHQLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-10(2)15(3)19(16,17)14-9-11-4-5-13-12(8-11)6-7-18-13/h4-8,10,14H,9H2,1-3H3.
What are the key properties of 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene?
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene has a molecular weight of 298.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene is sourced from PubChem (CID 131900878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).