N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide

C15H17N3S — CID 110983456

IUPACN'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccsc1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3S/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17)
InChIKeyJLDUPAZXJYWEFJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.89
Rot. Bonds2

About N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983456) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID110983456
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccsc1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3S/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17)
InChIKeyJLDUPAZXJYWEFJ-UHFFFAOYSA-N
XLogP2.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116385
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
N'-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110933988
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984898

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide (CID 110983456) is N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccsc1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is JLDUPAZXJYWEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-16-15(17-10-12-7-9-19-11-12)18-8-6-13-4-2-3-5-14(13)18/h2-5,7,9,11H,6,8,10H2,1H3,(H,16,17).
What are the key properties of N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 271.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).