N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

C19H23N3S — CID 56949933

IUPACN'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCCCC1)CC2)c1cccs1
InChIInChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(H2,20,21)
InChIKeyMMLFTYMILUDDSF-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.48
Rot. Bonds3

About N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (PubChem CID 56949933) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
PubChem CID56949933
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCCCC1)CC2)c1cccs1
InChIInChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(H2,20,21)
InChIKeyMMLFTYMILUDDSF-UHFFFAOYSA-N
XLogP4.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (CID 56949933) is N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)N(C1CCCCC1)CC2)c1cccs1.
What is the InChIKey of N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The InChIKey is MMLFTYMILUDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(H2,20,21).
What are the key properties of N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide has a molecular weight of 325.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexyl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 56949933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).