2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide

C14H19N3O2S2 — CID 106074734

IUPAC2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(CNC2CC2)sc2ccccc12
InChIInChI=1S/C14H19N3O2S2/c1-17(2)16-21(18,19)14-11-5-3-4-6-12(11)20-13(14)9-15-10-7-8-10/h3-6,10,15-16H,7-9H2,1-2H3
InChIKeyWNAGFHRNJXLMNB-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.91
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide

2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide (PubChem CID 106074734) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide
PubChem CID106074734
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(CNC2CC2)sc2ccccc12
InChIInChI=1S/C14H19N3O2S2/c1-17(2)16-21(18,19)14-11-5-3-4-6-12(11)20-13(14)9-15-10-7-8-10/h3-6,10,15-16H,7-9H2,1-2H3
InChIKeyWNAGFHRNJXLMNB-UHFFFAOYSA-N
XLogP1.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454421
N-[(3-chloro-1-benzothiophen-2-yl)methyl]cyclooctanamine
CID 60663054
N-(2-cyclopropylpropan-2-yl)-2-(hydroxymethyl)-1-benzothiophene-3-sulfonamide
CID 106001128
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
CID 106032317
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
2-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-1-benzothiophene-3-sulfonamide
CID 106065687
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide
CID 115988359
2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
CID 106074660
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)-1-benzothiophene-3-sulfonamide
CID 106077441

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide (CID 106074734) is 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide is CN(C)NS(=O)(=O)c1c(CNC2CC2)sc2ccccc12.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide?
The InChIKey is WNAGFHRNJXLMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17(2)16-21(18,19)14-11-5-3-4-6-12(11)20-13(14)9-15-10-7-8-10/h3-6,10,15-16H,7-9H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide?
2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide has a molecular weight of 325.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N',N'-dimethyl-1-benzothiophene-3-sulfonohydrazide is sourced from PubChem (CID 106074734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).