N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide

C19H22N4S — CID 15951125

IUPACN'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2ccn(CCN3CCCC3)c2c1)c1cccs1
InChIInChI=1S/C19H22N4S/c20-19(18-4-3-13-24-18)21-16-6-5-15-7-10-23(17(15)14-16)12-11-22-8-1-2-9-22/h3-7,10,13-14H,1-2,8-9,11-12H2,(H2,20,21)
InChIKeyNNPADPOIMIBUMP-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.84
Rot. Bonds5

About N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide

N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15951125) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
PubChem CID15951125
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2ccn(CCN3CCCC3)c2c1)c1cccs1
InChIInChI=1S/C19H22N4S/c20-19(18-4-3-13-24-18)21-16-6-5-15-7-10-23(17(15)14-16)12-11-22-8-1-2-9-22/h3-7,10,13-14H,1-2,8-9,11-12H2,(H2,20,21)
InChIKeyNNPADPOIMIBUMP-UHFFFAOYSA-N
XLogP3.84
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide (CID 15951125) is N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2ccn(CCN3CCCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is NNPADPOIMIBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c20-19(18-4-3-13-24-18)21-16-6-5-15-7-10-23(17(15)14-16)12-11-22-8-1-2-9-22/h3-7,10,13-14H,1-2,8-9,11-12H2,(H2,20,21).
What are the key properties of N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 338.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).