N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide

C10H13N3S — CID 79211906

IUPACN-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide
SMILESC/N=C(\NN)C1CSc2ccccc21
InChIInChI=1S/C10H13N3S/c1-12-10(13-11)8-6-14-9-5-3-2-4-7(8)9/h2-5,8H,6,11H2,1H3,(H,12,13)
InChIKeyIQAFOKFZQQISEL-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.37
Rot. Bonds1

About N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide

N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide (PubChem CID 79211906) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide
PubChem CID79211906
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide
SMILESC/N=C(\NN)C1CSc2ccccc21
InChIInChI=1S/C10H13N3S/c1-12-10(13-11)8-6-14-9-5-3-2-4-7(8)9/h2-5,8H,6,11H2,1H3,(H,12,13)
InChIKeyIQAFOKFZQQISEL-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide 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-amino-N'-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboximidamide
CID 79212455
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212932
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
N-(1-aminobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214006
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75504594
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide (CID 79211906) is N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide is C/N=C(\NN)C1CSc2ccccc21.
What is the InChIKey of N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide?
The InChIKey is IQAFOKFZQQISEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-12-10(13-11)8-6-14-9-5-3-2-4-7(8)9/h2-5,8H,6,11H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide?
N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide has a molecular weight of 207.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-2,3-dihydro-1-benzothiophene-3-carboximidamide is sourced from PubChem (CID 79211906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).